SCHEMBL605443

SCHEMBL605443

NCC(c1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.64
TAAR1 Q96RJ0 1/20 0.64
CHRNB2 P17787 1/20 0.59
CHRNA4 P43681 1/20 0.59
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
CACNA1C Q13936 2/20 0.53
KCNK2 O95069 1/20 0.53
KCNH2 Q12809 1/20 0.53
ACP3 P15309 1/20 0.51
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
SLC7A5 Q01650 4/20 0.49
KIF11 P52732 1/20 0.48
PNMT P11086 1/20 0.47
HSD11B1 P28845 1/20 0.45
CACNA1A O00555 1/20 0.44
CACNA2D1 P54289 1/20 0.44
CACNA1B Q00975 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5161949 0.85 HRH1 (0.67) HTR2ATAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL4743517 0.85 HTR2A (0.59) HTR2ATAAR1CHRNB2CHRNA4CACNA1C
SCHEMBL1581317 0.84 PNMT (0.45) HTR2ATAAR1CHRNB2CHRNA4SLC6A2
Hydrochloric Acid SCHEMBL4433367 0.83 HRH1 (0.64) HTR2ASLC6A2SLC6A4SLC6A3CACNA1C
2,2,2-Trifluoroethanaminium SCHEMBL4716808 0.81 HTR2A (0.73) HTR2ATAAR1CHRNB2CHRNA4SLC6A2
SCHEMBL12086021 0.80 ACP3 (0.51) HTR2ASLC6A2SLC6A4SLC6A3CACNA1C
SCHEMBL7074111 0.80 ACP3 (0.51) HTR2ASLC6A2SLC6A4SLC6A3CACNA1C
SCHEMBL8317456 0.80 ACP3 (0.51) HTR2ASLC6A2SLC6A4SLC6A3CACNA1C
SCHEMBL149259 0.80 HTR2A (1.00) HTR2ATAAR1CHRNB2CHRNA4SLC6A2
SCHEMBL2010847 0.79 ACP3 (0.55) SLC6A2SLC6A4SLC6A3CACNA1CKCNK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025051829-A1 NEW PROP-2-YNAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-03-13 WO disclosed
EP-2299275-B1 Classification of the oncofetal fibronection level for pregnancy-related indications ADEZA BIOMEDICAL CORP (US) 2018-03-07 EP disclosed
US-9513298-B2 Methods for detecting oncofetal fibronectin BANK OF AMERICA, N.A., AS COLLATERAL AGENT 2016-12-06 US disclosed
US-20150044708-A1 Methods for Detecting Oncofetal Fibronectin HOLOGIC, INC. 2015-02-12 US disclosed
US-8852872-B2 Methods for detecting oncofetal fibronectin HOLOGIC, INC. (US) 2014-10-07 US disclosed
US-20130171672-A1 Methods for Detecting Oncofetal Fibronectin HOLOGIC, INC. (US) 2013-07-04 US disclosed
US-8372581-B2 Methods for detecting oncofetal fibronectin CYTYC CORPORATION (US) 2013-02-12 US disclosed
US-20120040356-A1 Methods for Detecting Oncofetal Fibronectin CYTYC SURGICAL PRODUCTS, LIMITED PARTNERSHIP 2012-02-16 US disclosed
EP-1778874-B1 ONCOFETAL FIBRONECTIN AS A MARKER FOR CERVICAL CANCER ADEZA BIOMEDICAL CORP (US) 2011-11-23 EP disclosed
EP-2299275-A2 Classification of the oncofetal fibronection level for the indication of diseases and other conditions ADEZA BIOMEDICAL CORPORATION (US) 2011-03-23 EP disclosed
WO-2008106633-A1 METHODS OF USING BENZODIOXINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-09-04 WO disclosed
EP-1778874-A2 ONCOFETAL FIBRONECTIN AS A MARKER FOR DISEASE AND OTHER CONDITIONS AND METHODS FOR DETECTION OF ONCOFETAL FIBRONECTIN ADEZA BIOMEDICAL CORPORATION (US) 2007-05-02 EP disclosed
WO-2006026020-A9 ONCOFETAL FIBRONECTIN AS A MARKER FOR DISEASE AND OTHER CONDITIONS AND METHODS FOR DETECTION OF ONCOFETAL FIBRONECTIN ADEZA BIOMEDICAL CORP (US) 2006-07-06 WO disclosed
WO-2006026020-A2 ONCOFETAL FIBRONECTIN AS A MARKER FOR DISEASE AND OTHER CONDITIONS AND METHODS FOR DETECTION OF ONCOFETAL FIBRONECTIN ADEZA BIOMEDICAL CORPORATION (US) 2006-03-09 WO disclosed
US-20060024724-A1 Oncofetal fibronectin as a marker for health and disease CYTYC SURGICAL PRODUCTS II LIMITED PARTNERSHIP 2006-02-02 US disclosed
US-20060024725-A1 Oncofetal fibronectin as a marker for pregnancy-related indications THIRD WAVE TECHNOLOGIES, INC. 2006-02-02 US disclosed
US-20060024757-A1 Detection of oncofetal fibronectin for selection of concepti CYTYC SURGICAL PRODUCTS II LIMITED PARTNERSHIP 2006-02-02 US disclosed
US-20060024722-A1 Samples for detection of oncofetal fibronectin and uses thereof BIOLUCENT, LLC 2006-02-02 US disclosed
US-20060024723-A1 Methods for detecting oncofetal fibronectin CYTYC SURGICAL PRODUCTS, LIMITED PARTNERSHIP 2006-02-02 US disclosed