SCHEMBL9413620

SCHEMBL9413620

COc1cccc(CCc2ccccc2OCC2CCCN2C(=O)OC(C)(C)C)c1OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
F2RL3 Q96RI0 4/20 0.44
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
ABCB1 P08183 2/20 0.42
P2RX3 P56373 1/20 0.42
TSHR P16473 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 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
SCHEMBL9413621 1.00 ALOX5AP (0.44) ALOX5APFEN1F2RL3CHRNB4CHRNA3
SCHEMBL8706557 0.86 KLK7 (0.45) ALOX5APFEN1F2RL3TSHRALDH1A1
SCHEMBL8706554 0.86 KLK7 (0.45) ALOX5APFEN1F2RL3TSHRALDH1A1
SCHEMBL2200755 0.86 CHRNB4 (0.58) ALOX5APFEN1F2RL3CHRNB4CHRNA3
SCHEMBL8702640 0.85 TP53 (0.49) ABCB1TSHRMAPK1
SCHEMBL8702684 0.85 TP53 (0.49) ABCB1TSHRMAPK1
SCHEMBL8702646 0.85 TP53 (0.49) ABCB1TSHRMAPK1
SCHEMBL29039347 0.82 F2RL3 (0.45) ALOX5APFEN1F2RL3CHRNB4CHRNA3
SCHEMBL26999499 0.82 F2RL3 (0.45) ALOX5APFEN1F2RL3CHRNB4CHRNA3
SCHEMBL8708341 0.82 F2RL3 (0.42) ALOX5APFEN1F2RL3ABCB1TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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