SCHEMBL11948843

SCHEMBL11948843

Cc1ccc2cc(C(=O)c3ccccc3)ccc2c1C1NCCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.44
OPRK1 P41145 3/20 0.44
PRCP P42785 2/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAOA P21397 1/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
GID4 Q8IVV7 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
SCHEMBL4397745 0.88 PRCP (0.42) OPRM1OPRK1PRCPTSHRNPSR1
SCHEMBL11948857 0.82 PRCP (0.55) OPRM1OPRK1PRCPGAAMAOA
SCHEMBL11948844 0.80 PRCP (0.46) OPRM1OPRK1PRCPGAAMAOA
SCHEMBL6986104 0.79 PRCP (0.52) PRCPTSHRNPSR1GAAMEN1
SCHEMBL11948845 0.78 GID4 (0.56) OPRM1OPRK1PRCPGAAMEN1
SCHEMBL11948841 0.76 PRCP (0.47) OPRM1OPRK1PRCPGAAMEN1
SCHEMBL11948846 0.72 GID4 (0.57) OPRM1OPRK1PRCPGAAMEN1
SCHEMBL11948842 0.71 MAPT (0.42) OPRM1PRCPTSHRNPSR1GAA
SCHEMBL11948847 0.69 PRCP (0.50) PRCPGAAMEN1KMT2AMAOA
SCHEMBL27859079 0.69 PRCP (0.58) OPRM1OPRK1PRCPTSHRNPSR1

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-8232399-B2 Chiral ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-07-31 US disclosed