SCHEMBL7499736

SCHEMBL7499736

CC(Oc1ccc(Cc2ccc(F)cc2)cc1)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.48
PSMB1 P20618 1/20 0.41
PSMB5 P28074 1/20 0.41
PSMB2 P49721 1/20 0.41
HRH3 Q9Y5N1 7/20 0.40
ADAM33 Q9BZ11 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
KMT2A Q03164 1/20 0.38
GRM2 Q14416 1/20 0.38
SLC6A4 P31645 1/20 0.37

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
SCHEMBL7502501 0.85 LTA4H (0.50) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7759793 0.80 HRH3 (0.42) LTA4HHRH3KMT2AGRM2
SCHEMBL7503034 0.80 RAB9A (0.52) PSMB1PSMB5PSMB2HRH3RAB9A
Hydrochloric Acid SCHEMBL5708509 0.79 HRH3 (0.41) LTA4HHRH3KMT2AGRM2
SCHEMBL8164751 0.74 POLB (0.42) LTA4HHRH3KMT2ASLC6A4
SCHEMBL1986255 0.74 MAPT (0.36) LTA4HPSMB1PSMB5HRH3KMT2A
SCHEMBL6731066 0.74 SIGMAR1 (0.43) HRH3RAB9AKMT2A
SCHEMBL4322787 0.74 CHRNB4 (0.47) LTA4HKMT2A
SCHEMBL14966522 0.74 CHRNB4 (0.47) LTA4HKMT2A
SCHEMBL13712250 0.74 ALDH1A3 (0.56) LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763022-A1 PHENOXYALKYL SUBSTITUTED PIPERIDINES, PYRROLIDINES, MORPHOLINES AND THIOMORPHOLINES AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-03-19 EP claimed
WO-1995033723-A1 PHENOXYALKYL SUBSTITUTED PIPERIDINES, PYRROLIDINES, MORPHOLINES AND THIOMORPHOLINES AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-12-14 WO claimed