SCHEMBL7825844

SCHEMBL7825844

CC1(C)C(=O)N(CCO)c2ccc(F)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 2/20 0.47
PTGDR2 Q9Y5Y4 6/20 0.46
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
HIF1A Q16665 1/20 0.43
MEN1 O00255 1/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR1 P34998 1/20 0.42
ANPEP P15144 3/20 0.41
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.37
OPRM1 P35372 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
SCHEMBL7836213 0.84 TP53 (0.46) CYP2C9MEN1LMNAKMT2AMAPT
SCHEMBL5007556 0.82 HSPA9 (0.39) CYP3A4CYP2D6CYP2C9NFKB1THPO
SCHEMBL7836004 0.82 LMNA (0.46) PTGDR2MEN1LMNAKMT2AANPEP
SCHEMBL7836673 0.82 KMT2A (0.49) MEN1LMNAKMT2AANPEPMAPT
SCHEMBL7832280 0.82 PGR (0.35) CYP3A4CYP2D6CYP2C9NFKB1THPO
SCHEMBL7833333 0.80 TDP1 (0.46) PTGDR2MEN1LMNAKMT2ACRHR1
SCHEMBL7832671 0.79 MEN1 (0.44) MEN1LMNAKMT2AMAPTPOLB
SCHEMBL31559833 0.78 TP53 (0.52) CYP3A4CYP2D6CYP2C9NFKB1THPO
SCHEMBL7014237 0.78 TP53 (0.52) CYP3A4CYP2D6CYP2C9NFKB1THPO
SCHEMBL24201847 0.78 MEN1 (0.50) MEN1KMT2AMAPTPOLBOPRM1

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 6 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
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