SCHEMBL7387101

SCHEMBL7387101

Clc1ccc(SCCCCCN2CC[CH]CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
LMNA P02545 1/20 0.60
TDP1 Q9NUW8 1/20 0.57
HTR1A P08908 4/20 0.54
DRD2 P14416 4/20 0.54
HTR2A P28223 4/20 0.54
DRD3 P35462 4/20 0.54
DRD1 P21728 2/20 0.54
DRD5 P21918 2/20 0.54
HRH1 P35367 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
HTR7 P34969 1/20 0.50
HTR2B P41595 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HTR2C P28335 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL7387694 0.98 KDM4E (0.61) KDM4ELMNATDP1HTR1ADRD2
SCHEMBL7383372 0.85 POLB (0.68) KDM4ELMNATDP1DRD2DRD3
SCHEMBL7391693 0.85 DRD2 (0.54) KDM4ELMNAHTR1ADRD2HTR2A
SCHEMBL7392098 0.84 KDM4E (0.59) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL7388724 0.84 KDM4E (0.59) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL7382543 0.83 DRD2 (0.56) KDM4ELMNAHTR1ADRD2HTR2A
SCHEMBL7389692 0.83 POLB (0.69) KDM4ELMNATDP1DRD2DRD3
SCHEMBL7427501 0.83 ALDH1A1 (0.61) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL11866641 0.80 KDM4E (0.83) KDM4ELMNATDP1HTR1ADRD2
Hydrochloric Acid SCHEMBL11865875 0.78 KDM4E (0.81) KDM4ELMNATDP1HTR1ADRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5864039-A THERAPEUTIC TREATMENT OF VARIOUS GASTROINTESTINAL DISEASES, CENTRAL NERVOUS DISORDERS, CARDIOVASCULAR DISORDERS, URINARY DISEASES, UROGENITAL DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-01-26 US disclosed
EP-0873990-A1 BENZOIC ACID COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-10-28 EP disclosed