SCHEMBL8708774

SCHEMBL8708774

COc1cc(CCCCc2ccccc2OCC2CCCN(C)C2)cc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
ABCB1 P08183 10/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL8706914 0.99 HRH3 (0.47) HRH3ABCB1MEN1KMT2ATP53
SCHEMBL8703946 0.92 ABCB1 (0.57) ABCB1MEN1KMT2ATP53CYP3A4
SCHEMBL8703339 0.91 ABCB1 (0.56) ABCB1MEN1KMT2ATP53CYP3A4
SCHEMBL8703273 0.91 ABCB1 (0.56) ABCB1MEN1KMT2ATP53CYP3A4
Hydrochloric Acid SCHEMBL8702858 0.91 ABCB1 (0.56) ABCB1MEN1KMT2ATP53CYP3A4
SCHEMBL8709024 0.88 CHRNB2 (0.48) HRH3
SCHEMBL8702137 0.88 HRH3 (0.53) HRH3MEN1KMT2A
SCHEMBL8703661 0.87 CHRNB2 (0.48) HRH3
SCHEMBL8707213 0.87 CHRNB2 (0.48) HRH3
Hydrochloric Acid SCHEMBL27425800 0.87 HRH3 (0.52) HRH3

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 6 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 claimed
US-5556864-A TREATMENT OF CIRCULATORY DISEASES AND PSYCHOSIS SANKYO COMPANY, LIMITED (JP) 1996-09-17 US claimed
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 claimed
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