SCHEMBL8669017

SCHEMBL8669017

CCCC1(SC)C(=O)N(CCO)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
CNR1 P21554 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
TP53 P04637 3/20 0.41
THRB P10828 1/20 0.41
KDM4E B2RXH2 2/20 0.39
CBX7 O95931 1/20 0.38
CDYL Q9Y232 1/20 0.38
CDY1; CDY1B Q9Y6F8 1/20 0.38
POLB P06746 1/20 0.38
SCN9A Q15858 3/20 0.38
ALDH1A1 P00352 6/20 0.38
GAA P10253 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7825252 0.83 OPRM1 (0.42) OPRM1OPRL1CNR1GPR55TP53
SCHEMBL7823775 0.78 OPRM1 (0.44) OPRM1OPRL1CNR1GPR55TP53
SCHEMBL7824852 0.75 OPRM1 (0.41) OPRM1OPRL1CNR1GPR55TP53
SCHEMBL26891305 0.75 CNR1 (0.54) CNR1GPR55POLBALDH1A1GAA
SCHEMBL7014237 0.74 TP53 (0.52) OPRM1OPRL1CNR1GPR55TP53
SCHEMBL31559833 0.74 TP53 (0.52) OPRM1OPRL1CNR1GPR55TP53
SCHEMBL7824845 0.73 OPRM1 (0.44) OPRM1OPRL1CNR1GPR55TP53
SCHEMBL12659381 0.73 KDM4E (0.47) CNR1GPR55TP53THRBKDM4E
SCHEMBL7836405 0.70 SCN9A (0.48) OPRM1OPRL1CNR1GPR55TP53
SCHEMBL7824666 0.68 ITGB2 (0.54) OPRM1OPRL1ALDH1A1GAAMEN1

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-5773448-A NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY LIMITED (GB) 1998-06-30 US disclosed