SCHEMBL7501330

SCHEMBL7501330

CC(Oc1ccc(Oc2ccc(Cl)cc2)cc1)N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.45
PTGS2 P35354 1/20 0.45
SIGMAR1 Q99720 4/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CHRNA7 P36544 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 3/20 0.38

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
SCHEMBL6731066 0.95 SIGMAR1 (0.43) SIGMAR1ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL7502501 0.86 LTA4H (0.50) LTA4HSIGMAR1ALDH1A1KMT2ALMNA
SCHEMBL7500095 0.84 HPGD (0.50) ALDH1A1KMT2ALMNASMN1; SMN2HTT
SCHEMBL5397779 0.80 SIGMAR1 (0.42) SIGMAR1ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL16428483 0.79 CYP2D6 (0.53) LTA4HSIGMAR1ALDH1A1KMT2ALMNA
SCHEMBL8164751 0.78 POLB (0.42) LTA4HPTGS2ALDH1A1KMT2ALMNA
SCHEMBL1986255 0.78 MAPT (0.36) LTA4HALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL4322787 0.78 CHRNB4 (0.47) LTA4HALDH1A1KMT2ALMNA
SCHEMBL14966522 0.78 CHRNB4 (0.47) LTA4HALDH1A1KMT2ALMNA
SCHEMBL7759793 0.77 HRH3 (0.42) LTA4HALDH1A1KMT2AHTTHRH3

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