SCHEMBL7832280

SCHEMBL7832280

CC1(C)C(=O)N(CCO)c2cc(F)c(F)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
HIF1A Q16665 1/20 0.35
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
GMNN O75496 1/20 0.34
MAPK1 P28482 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
SCN9A Q15858 1/20 0.34
STING1 Q86WV6 1/20 0.34
CACNA1H O95180 2/20 0.33
TP53 P04637 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33

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
SCHEMBL7825844 0.82 PARK7 (0.47) CYP3A4CYP2D6CYP2C9NFKB1THPO
SCHEMBL7836673 0.79 KMT2A (0.49) MEN1LMNAKMT2ATP53MAPT
SCHEMBL7837760 0.78 TP53 (0.44) CYP3A4CYP2D6CYP2C9NFKB1THPO
SCHEMBL7836213 0.77 TP53 (0.46) CYP2C9MEN1LMNAKMT2ATP53
SCHEMBL5007556 0.76 HSPA9 (0.39) CYP3A4CYP2D6CYP2C9NFKB1THPO
SCHEMBL7836004 0.76 LMNA (0.46) MEN1LMNAKMT2ATP53MAPT
SCHEMBL11919100 0.75 MAPT (0.39) CYP3A4CYP2D6CYP2C9NFKB1THPO
SCHEMBL7014237 0.74 TP53 (0.52) CYP3A4CYP2D6CYP2C9NFKB1THPO
SCHEMBL31559833 0.74 TP53 (0.52) CYP3A4CYP2D6CYP2C9NFKB1THPO
SCHEMBL27477338 0.74 TNKS (0.43) PGRCYP3A4CYP2D6CYP2C9NFKB1

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