SCHEMBL8707388

SCHEMBL8707388

COc1cccc(CCc2ccccc2OC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 4/20 0.49
NR1H4 Q96RI1 1/20 0.48
ABCB1 P08183 13/20 0.47
DRD2 P14416 4/20 0.47
HTR1A P08908 2/20 0.47
ERBB2 P04626 1/20 0.46
EPHB4 P54760 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL8703515 1.00 EPHA2 (0.49) EPHA2NR1H4ABCB1DRD2HTR1A
SCHEMBL8702892 1.00 EPHA2 (0.49) EPHA2NR1H4ABCB1DRD2HTR1A
SCHEMBL8702860 0.90 NR1H4 (0.49) EPHA2NR1H4ERBB2EPHB4TSHR
SCHEMBL8704689 0.90 NR1H4 (0.49) EPHA2NR1H4ERBB2EPHB4TSHR
SCHEMBL8702864 0.90 NR1H4 (0.49) EPHA2NR1H4ERBB2EPHB4TSHR
SCHEMBL27340482 0.89 EPHA2 (0.53) EPHA2NR1H4ERBB2EPHB4
SCHEMBL9068236 0.86 SLC2A1 (0.51) ABCB1DRD2HTR1ATP53CYP3A4
SCHEMBL9068232 0.86 SLC2A1 (0.51) ABCB1DRD2HTR1ATP53CYP3A4
SCHEMBL8702698 0.85 TP53 (0.49) ABCB1DRD2HTR1ATP53CYP3A4
SCHEMBL8709905 0.85 TP53 (0.49) ABCB1DRD2HTR1ATP53CYP3A4

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
CN-1044365-C Alpha, omega-diarylalkane derivatives, their preparation and their use in the treatment and prevention of circulatory diseases and psychosis SANKYO CO (JP) 1999-07-28 CN disclosed
EP-0844000-A1 Use of alpha, omega-diarylalkane derivatives in the treatment and prevention of psychosis SANKYO COMPANY LIMITED (JP) 1998-05-27 EP disclosed
US-5556864-A TREATMENT OF CIRCULATORY DISEASES AND PSYCHOSIS SANKYO COMPANY, LIMITED (JP) 1996-09-17 US disclosed
CN-1102640-A Alpha, omega-diarylalkane derivatives, their preparation and their use in the treatment and prevention of circulatory and psychiatric disorders SANKYO CO (JP) 1995-05-17 CN disclosed
EP-0600717-A1 Phenoxyalkylamines, -pyrrolidines and -piperidines for the treatment and prevention of circulatory diseases and psychosis SANKYO COMPANY LIMITED (JP) 1994-06-08 EP disclosed