SCHEMBL13845889

SCHEMBL13845889

CCN1C(=O)C2(CCN(c3ccc(Cl)cc3)CC2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.53
DRD4 P21917 1/20 0.51
C5AR1 P21730 2/20 0.49
HTR1A P08908 2/20 0.45
HTR2A P28223 2/20 0.45
HTR7 P34969 2/20 0.45
HTR6 P50406 2/20 0.45
OPRM1 P35372 2/20 0.43
OPRK1 P41145 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
PGR P06401 2/20 0.43
CNR1 P21554 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL3730104 0.85 OPRL1 (0.58) OPRL1C5AR1OPRM1OPRK1EGLN1
SCHEMBL16618821 0.81 CNR1 (0.54) OPRL1DRD4OPRM1OPRK1EGLN1
SCHEMBL2302362 0.80 CHRM1 (0.52) OPRL1OPRM1OPRK1EGLN1CNR1
SCHEMBL17083919 0.78 CNR1 (0.48) OPRL1OPRM1OPRK1CNR1GPR55
SCHEMBL11472449 0.78 EGLN1 (0.63) OPRL1DRD4C5AR1OPRM1OPRK1
SCHEMBL30666913 0.76 CNR1 (0.49) OPRL1DRD4OPRM1OPRK1EGLN1
SCHEMBL2298738 0.75 CNR1 (0.48) OPRL1DRD4OPRM1OPRK1EGLN1
SCHEMBL17083918 0.72 CNR1 (0.50) OPRL1DRD4OPRM1OPRK1CNR1
SCHEMBL10253956 0.71 OPRL1 (0.48) OPRL1OPRM1OPRK1
SCHEMBL16618696 0.70 OPRL1 (0.51) OPRL1OPRM1OPRK1EGLN1KDM4E

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-2009061676-A2 ANTAGONISTS OF PGD2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed