SCHEMBL7612504

SCHEMBL7612504

CCN(CC)C(=O)c1c(C(c2ccc(OCOC)cc2)c2ccc(OCOC)cc2)c2ccccc2n1CCN(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.39
DUSP3 P51452 1/20 0.39
CNR2 P34972 4/20 0.38
TSPO P30536 5/20 0.37
OPRD1 P41143 2/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.34
UTS2R Q9UKP6 1/20 0.34
PTGER4 P35408 1/20 0.34

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
SCHEMBL8479514 0.92 PARP1 (0.38) CNR2TSPOPPARGPPARDPPARA
SCHEMBL7612724 0.89 ALDH1A1 (0.39) PPARGPPARDPPARAKMT2AALDH1A1
SCHEMBL7609587 0.87 KMT2A (0.46) CNR2PPARGPPARDPPARAKMT2A
SCHEMBL8476849 0.86 OPRD1 (0.44) PTPN7DUSP3CNR2TSPOOPRD1
SCHEMBL7613036 0.85 KDM4E (0.38) CNR2PPARGPPARDPPARAKMT2A
SCHEMBL7616866 0.85 PTGER4 (0.38) PPARGPPARDPPARAKMT2AALDH1A1
SCHEMBL8472329 0.85 EGFR (0.41) KMT2AALDH1A1PTGER4
SCHEMBL7615347 0.83 CNR2 (0.44) CNR2PTGER4
SCHEMBL7618604 0.82 HTR6 (0.35) PTPN7DUSP3CNR2TSPOOPRD1
SCHEMBL7617024 0.82 ALDH1A1 (0.38) CNR2KMT2AALDH1A1PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741132-B1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2002-04-10 EP disclosed
US-5891902-A OSTEOPOROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-04-06 US disclosed
EP-0741132-A1 INDOLE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-11-06 EP disclosed