SCHEMBL14467604

SCHEMBL14467604

Fc1ccc2c(c1)C1(CCN(C3CCNCC3)CC1)CN2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.46
OPRL1 P41146 7/20 0.46
OPRK1 P41145 4/20 0.38
CYP2D6 P10635 1/20 0.36
AXL P30530 1/20 0.36
CSNK1D P48730 1/20 0.36
MERTK Q12866 1/20 0.36
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
KDM1A O60341 2/20 0.34
KHK P50053 1/20 0.34
CCR3 P51677 1/20 0.33

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
SCHEMBL14467572 0.95 OPRM1 (0.43) OPRM1OPRL1OPRK1CYP2D6AXL
SCHEMBL13001313 0.89 OPRM1 (0.47) OPRM1OPRL1OPRK1TNKSTNKS2
SCHEMBL12084460 0.89 OPRM1 (0.47) OPRM1OPRL1OPRK1TNKSTNKS2
SCHEMBL12084407 0.86 OPRM1 (0.47) OPRM1OPRL1OPRK1TNKSTNKS2
SCHEMBL12084827 0.86 OPRM1 (0.45) OPRM1OPRL1OPRK1CYP2D6AXL
SCHEMBL14467954 0.85 OPRM1 (0.45) OPRM1OPRL1HTR2CHTR2BHRH3
SCHEMBL12084873 0.84 OPRM1 (0.43) OPRM1OPRL1OPRK1AXLMERTK
SCHEMBL14467525 0.84 HRH3 (0.43) OPRM1OPRL1HTR2CHRH3KHK
SCHEMBL13644090 0.83 OPRM1 (0.44) OPRM1OPRL1OPRK1TNKSTNKS2
SCHEMBL13640817 0.82 OPRM1 (0.44) OPRM1OPRL1OPRK1AXLCSNK1D

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
WO-2007076070-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed