SCHEMBL9720772

SCHEMBL9720772

Oc1ccc(CN2CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.50
OPRD1 P41143 5/20 0.50
OPRK1 P41145 5/20 0.50
OPRL1 P41146 5/20 0.50
ATM Q13315 2/20 0.49
DRD4 P21917 1/20 0.49
SIGMAR1 Q99720 3/20 0.48
CACNA2D1 P54289 2/20 0.47
CACNA1B Q00975 2/20 0.47
CACNB1 Q02641 2/20 0.47
CACNA1C Q13936 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CACNA1G O43497 1/20 0.45
HDAC4 P56524 1/20 0.45
KCNH2 Q12809 1/20 0.45
HDAC1 Q13547 1/20 0.45

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
SCHEMBL9720740 0.84 ATM (0.48) OPRM1OPRD1OPRK1OPRL1ATM
SCHEMBL9720646 0.82 ALDH1A1 (0.54) OPRM1OPRD1OPRK1OPRL1ATM
SCHEMBL9720688 0.81 OPRD1 (0.50) OPRD1OPRK1ATMDRD4MEN1
Belarizine SCHEMBL2108057 0.81 ATM (0.73) OPRM1OPRD1OPRK1ATMDRD4
SCHEMBL9720751 0.78 KCNH2 (0.71) OPRM1OPRD1OPRK1ATMDRD4
SCHEMBL9720705 0.77 KCNH2 (0.62) OPRM1OPRD1OPRK1ATMDRD4
SCHEMBL9720752 0.76 DRD4 (0.77) DRD4SIGMAR1KMT2A
SCHEMBL18177899 0.76 KDM4E (0.64) DRD4
SCHEMBL5428090 0.76 DRD4 (0.63) DRD4SIGMAR1
SCHEMBL9720741 0.75 OPRD1 (0.55) OPRM1OPRD1OPRK1OPRL1ATM

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