SCHEMBL8708341

SCHEMBL8708341

COCOc1cccc(CCc2ccccc2OC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 4/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX5AP P20292 3/20 0.41
ABCB1 P08183 11/20 0.41
DRD2 P14416 3/20 0.40
HTR1A P08908 2/20 0.40
FEN1 P39748 1/20 0.39

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
SCHEMBL8703526 1.00 F2RL3 (0.42) F2RL3TP53CYP3A4ALOX15TSHR
SCHEMBL8702640 0.92 TP53 (0.49) TP53CYP3A4ALOX15TSHRMAPK1
SCHEMBL8702646 0.92 TP53 (0.49) TP53CYP3A4ALOX15TSHRMAPK1
SCHEMBL8702684 0.92 TP53 (0.49) TP53CYP3A4ALOX15TSHRMAPK1
SCHEMBL8706554 0.87 KLK7 (0.45) F2RL3TSHRALOX5APFEN1
SCHEMBL8706557 0.87 KLK7 (0.45) F2RL3TSHRALOX5APFEN1
SCHEMBL8703528 0.83 TP53 (0.56) TP53CYP3A4ALOX15TSHRMAPK1
SCHEMBL8702049 0.83 CHRNB4 (0.55) TP53CYP3A4ALOX15TSHRMAPK1
SCHEMBL9413621 0.82 ALOX5AP (0.44) F2RL3TSHRMAPK1ALOX5APABCB1
SCHEMBL9413620 0.82 ALOX5AP (0.44) F2RL3TSHRMAPK1ALOX5APABCB1

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