SCHEMBL7824845

SCHEMBL7824845

CCC1(C)C(=O)N(CCO)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
CNR1 P21554 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
TP53 P04637 4/20 0.42
THRB P10828 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ELANE P08246 1/20 0.40
CBX7 O95931 1/20 0.39
CDYL Q9Y232 1/20 0.39
CDY1; CDY1B Q9Y6F8 1/20 0.39
POLB P06746 1/20 0.39
SCN9A Q15858 2/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL7824666 0.84 ITGB2 (0.54) OPRM1OPRL1LMNASMN1; SMN2ALDH1A1
SCHEMBL31559833 0.83 TP53 (0.52) OPRM1OPRL1CNR1GPR55TP53
SCHEMBL7014237 0.83 TP53 (0.52) OPRM1OPRL1CNR1GPR55TP53
SCHEMBL28250863 0.79 MAPT (0.50) OPRM1OPRL1LMNAALDH1A1KDM4E
SCHEMBL7836405 0.78 SCN9A (0.48) OPRM1OPRL1CNR1GPR55TP53
SCHEMBL7823775 0.78 OPRM1 (0.44) OPRM1OPRL1CNR1GPR55TP53
SCHEMBL8669017 0.73 OPRM1 (0.43) OPRM1OPRL1CNR1GPR55TP53
SCHEMBL28850360 0.72 CNR1 (0.51) CNR1GPR55TP53LMNAALDH1A1
SCHEMBL28850362 0.72 CNR1 (0.51) CNR1GPR55TP53LMNAALDH1A1
SCHEMBL7824852 0.71 OPRM1 (0.41) OPRM1OPRL1CNR1GPR55TP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0780388-B1 5HT1Dalpha and 5HT2A ligands LILLY CO ELI (GB) 2001-08-16 EP disclosed
US-6166040-A Indole compounds ELI LILLY AND COMPANY LIMITED (GB) 2000-12-26 US disclosed
EP-0963983-A1 Indol-2-ones as serotonin modulators ELI LILLY AND COMPANY LIMITED (GB) 1999-12-15 EP disclosed
US-5773448-A NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY LIMITED (GB) 1998-06-30 US disclosed
EP-0780388-A1 5HT1Dalpha and 5HT2A ligands LILLY INDUSTRIES LIMITED (GB) 1997-06-25 EP disclosed