SCHEMBL9720741

SCHEMBL9720741

Oc1ccc(CN2CCN(C(c3cccc(Cl)c3)c3cccc(Cl)c3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.55
ATM Q13315 2/20 0.53
KCNH2 Q12809 3/20 0.53
OPRK1 P41145 3/20 0.53
CYP3A4 P08684 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
CNR1 P21554 2/20 0.53
HRH1 P35367 2/20 0.53
GHSR Q92847 2/20 0.53
OPRM1 P35372 2/20 0.53
USP2 O75604 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
HPN P05981 1/20 0.53
CHRM2 P08172 1/20 0.53
ADRA2A P08913 1/20 0.53
CHRM1 P11229 1/20 0.53
DRD2 P14416 1/20 0.53
ADRA2C P18825 1/20 0.53

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
SCHEMBL9720767 0.85 KCNH2 (0.61) OPRD1ATMKCNH2OPRK1CYP3A4
Belarizine SCHEMBL2108057 0.84 ATM (0.73) OPRD1ATMKCNH2OPRK1CYP3A4
SCHEMBL9720751 0.84 KCNH2 (0.71) OPRD1ATMKCNH2OPRK1CYP3A4
SCHEMBL9720705 0.83 KCNH2 (0.62) OPRD1ATMKCNH2OPRK1CYP3A4
SCHEMBL9720680 0.82 SIGMAR1 (0.54) OPRD1ATMCYP3A4USP2CYP1A2
SCHEMBL9720704 0.82 OPRD1 (0.69) OPRD1ATMKCNH2OPRK1CYP3A4
SCHEMBL18177888 0.76 DRD2 (0.65) KCNH2USP2DRD2DRD4DRD3
SCHEMBL9720683 0.76 ATM (0.54) OPRD1ATMKCNH2OPRK1CYP3A4
SCHEMBL9720694 0.76 ATM (0.69) ATMKCNH2OPRK1ADORA3CNR1
SCHEMBL12464946 0.76 KCNH2 (0.80) ATMKCNH2OPRK1CYP3A4ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5142052-A Cationic effect-driven carbinol/amine reaction LABORATOIRES SYNTEX (FR) 1992-08-25 US disclosed