SCHEMBL8704689

SCHEMBL8704689

CC(C)(C)OC(=O)N1CCO[C@@H](COc2ccccc2CCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.49
DRD4 P21917 3/20 0.47
EPHA2 P29317 5/20 0.47
EPHB4 P54760 2/20 0.45
ERBB2 P04626 1/20 0.45
PDK1 Q15118 2/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
HTR6 P50406 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
BUB1 O43683 1/20 0.40
KDR P35968 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL8702860 1.00 NR1H4 (0.49) NR1H4DRD4EPHA2EPHB4ERBB2
SCHEMBL8702864 1.00 NR1H4 (0.49) NR1H4DRD4EPHA2EPHB4ERBB2
SCHEMBL8706383 0.94 NR1H4 (0.48) NR1H4DRD4EPHA2EPHB4ERBB2
SCHEMBL27340482 0.91 EPHA2 (0.53) NR1H4DRD4EPHA2EPHB4ERBB2
SCHEMBL8707388 0.90 EPHA2 (0.49) NR1H4EPHA2EPHB4ERBB2TSHR
SCHEMBL8702892 0.90 EPHA2 (0.49) NR1H4EPHA2EPHB4ERBB2TSHR
SCHEMBL8703515 0.90 EPHA2 (0.49) NR1H4EPHA2EPHB4ERBB2TSHR
SCHEMBL28851224 0.85 EPHA2 (0.51) NR1H4DRD4EPHA2EPHB4ERBB2
SCHEMBL15058339 0.84 EPHA2 (0.49) NR1H4DRD4EPHA2EPHB4ERBB2
SCHEMBL13482008 0.84 EPHA2 (0.51) NR1H4DRD4EPHA2EPHB4ERBB2

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