SCHEMBL20274167

SCHEMBL20274167

CC(C1Cc2cc(F)ccc2O1)N1CCN(C(=O)CO)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.38
CACNA1C Q13936 3/20 0.38
HTR2A P28223 2/20 0.38
MLNR O43193 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
KCNE1 P15382 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CNR1 P21554 1/20 0.38
SLC6A2 P23975 1/20 0.38
NPY1R P25929 1/20 0.38
HTR2C P28335 1/20 0.38
AVPR2 P30518 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL20651218 0.88 MEN1 (0.37) CACNA1CCHRM1RIPK1POLBDPP8
SCHEMBL15750188 0.79 HRH3 (0.49) HRH3DRD2EPHX2NTRK1
SCHEMBL20274120 0.78 TSHR (0.48) RIPK1POLBKDM1AMAOAMAOB
SCHEMBL23336293 0.73 ENPP2 (0.35) HTR2AKDM1AMAOA
SCHEMBL20665136 0.71 HTR2A (0.47) HRH3CACNA1CHTR2AMLNRADRB2
SCHEMBL20274145 0.71 HRH3 (0.56) HRH3HTR2ADRD2KDM1AMAOB
SCHEMBL15707813 0.69 HRH3 (0.51) HRH3DRD2HTTSMN1; SMN2
SCHEMBL20274187 0.68 ALDH1A1 (0.45) HRH3CACNA1CPOLBDPP4CYP2D6
SCHEMBL20274172 0.68 POLB (0.38) HRH3CACNA1CCHRM1POLBCYP2D6
SCHEMBL20274126 0.67 HRH3 (0.44) HRH3DRD2KCNH2

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
EP-3428162-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-05-05 EP disclosed
EP-2922845-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL INC (US) 2018-06-20 EP disclosed