SCHEMBL8704155

SCHEMBL8704155

COc1cccc(CCc2ccccc2OC[C@H]2CCCN(C)C2)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 15/20 0.62
DRD2 P14416 3/20 0.59
HTR1A P08908 2/20 0.59
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL8707616 1.00 ABCB1 (0.62) ABCB1DRD2HTR1ATP53CYP3A4
SCHEMBL8703165 1.00 ABCB1 (0.62) ABCB1DRD2HTR1ATP53CYP3A4
Hydrochloric Acid SCHEMBL8710531 0.99 ABCB1 (0.61) ABCB1DRD2HTR1ATP53CYP3A4
Hydrochloric Acid SCHEMBL8703553 0.99 ABCB1 (0.61) ABCB1DRD2HTR1ATP53CYP3A4
Hydrochloric Acid SCHEMBL8703558 0.99 ABCB1 (0.61) ABCB1DRD2HTR1ATP53CYP3A4
SCHEMBL8703946 0.94 ABCB1 (0.57) ABCB1DRD2HTR1ATP53CYP3A4
SCHEMBL8703339 0.93 ABCB1 (0.56) ABCB1DRD2HTR1ATP53CYP3A4
SCHEMBL8703273 0.93 ABCB1 (0.56) ABCB1DRD2HTR1ATP53CYP3A4
Hydrochloric Acid SCHEMBL8702858 0.93 ABCB1 (0.56) ABCB1DRD2HTR1ATP53CYP3A4
SCHEMBL8703510 0.89 ABCB1 (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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