SCHEMBL7014237

SCHEMBL7014237

CC1(C)C(=O)N(CCO)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.52
LMNA P02545 4/20 0.51
MAPT P10636 2/20 0.51
CYP2D6 P10635 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
NFKB1 P19838 1/20 0.49
THPO P40225 1/20 0.49
HIF1A Q16665 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
GMNN O75496 1/20 0.48
MAPK1 P28482 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
OPRM1 P35372 1/20 0.47
OPRL1 P41146 1/20 0.47
CYP1A2 P05177 1/20 0.46
THRB P10828 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL31559833 1.00 TP53 (0.52) TP53LMNAMAPTCYP2D6CYP3A4
SCHEMBL13241879 0.86 TP53 (0.55) TP53LMNAMAPTCYP2D6CYP3A4
SCHEMBL23865489 0.85 TP53 (0.50) TP53LMNAMAPTCYP2D6CYP3A4
SCHEMBL7824845 0.83 OPRM1 (0.44) TP53LMNAMAPTKMT2AMEN1
SCHEMBL7836213 0.83 TP53 (0.46) TP53LMNAMAPTCYP2C9KMT2A
SCHEMBL7823775 0.81 OPRM1 (0.44) TP53LMNAKMT2AMEN1OPRM1
SCHEMBL7836405 0.81 SCN9A (0.48) TP53LMNAKMT2AMEN1OPRM1
SCHEMBL9202873 0.81 GPR55 (0.56) TP53LMNAMAPTCYP2D6KMT2A
SCHEMBL7376832 0.81 PARK7 (0.52) TP53LMNAMAPTCYP2D6CYP3A4
SCHEMBL507636 0.81 KMT2A (0.51) TP53LMNAMAPTCYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705832-B1 Serotonergic modulators LILLY CO ELI (GB) 2003-08-13 EP disclosed
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
WO-1999058525-A1 INDOLE DERIVATIVES AS 5-HT2A LIGANDS AND AS SEROTONINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY LIMITED (GB) 1999-11-18 WO disclosed
US-5773448-A NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY LIMITED (GB) 1998-06-30 US disclosed
CN-1157822-A Pharmaceutical compounds LILLY INDUSTRIES LTD (GB) 1997-08-27 CN disclosed
EP-0780388-A1 5HT1Dalpha and 5HT2A ligands LILLY INDUSTRIES LIMITED (GB) 1997-06-25 EP disclosed
US-5563147-A CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-10-08 US disclosed
EP-0705832-A1 Serotonergic modulators LILLY INDUSTRIES LIMITED (GB) 1996-04-10 EP disclosed