SCHEMBL12459986

SCHEMBL12459986

CN(C)C(=O)N1CCC2(CCN(C3CC4CCCCC4C3)CC2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.46
SLC18A3 Q16572 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
NOTUM Q6P988 2/20 0.41
HSD11B1 P28845 1/20 0.40
OPRM1 P35372 6/20 0.39
OPRK1 P41145 2/20 0.37
AXL P30530 1/20 0.37
CSNK1D P48730 1/20 0.37
MERTK Q12866 1/20 0.37
KDM1A O60341 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL13203952 0.87 NOTUM (0.43) OPRL1SLC18A3SIGMAR1NOTUMHSD11B1
SCHEMBL12316031 0.86 HSD11B1 (0.39) SLC18A3SIGMAR1NOTUMHSD11B1AXL
SCHEMBL13203975 0.85 NOTUM (0.42) SLC18A3SIGMAR1NOTUMHSD11B1AXL
SCHEMBL1713339 0.84 AXL (0.43) SLC18A3SIGMAR1NOTUMHSD11B1AXL
SCHEMBL12315863 0.83 HSD11B1 (0.41) OPRL1NOTUMHSD11B1KDM1A
SCHEMBL12315886 0.82 OPRL1 (0.39) OPRL1SLC18A3SIGMAR1NOTUMHSD11B1
SCHEMBL12315864 0.81 CHRM1 (0.47)
SCHEMBL12315887 0.81 CHRM1 (0.46) KDM1A
SCHEMBL12316020 0.81 KDM1A (0.50) HSD11B1OPRM1KDM1A
SCHEMBL13203982 0.80 SLC18A3 (0.42) OPRL1SLC18A3SIGMAR1NOTUMHSD11B1

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
EP-1987034-B1 SPIRO CONDENSED PIPERIDINES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMA (US) 2011-07-20 EP disclosed