SCHEMBL7500095

SCHEMBL7500095

CC(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)N1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
CHRNA7 P36544 1/20 0.49
LMNA P02545 4/20 0.47
USP2 O75604 2/20 0.46
ALOX15 P16050 1/20 0.46
TP53 P04637 2/20 0.46
ALDH1A1 P00352 3/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 3/20 0.45
MAPK1 P28482 2/20 0.45
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
MEN1 O00255 1/20 0.45
ABCB11 O95342 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CYP2C9 P11712 1/20 0.45
ADRB3 P13945 1/20 0.45

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 0.88 SIGMAR1 (0.43) HPGDCHRNA7LMNAALDH1A1MAPT
SCHEMBL7503034 0.86 RAB9A (0.52) HPGDLMNATP53ALDH1A1HTT
SCHEMBL7501330 0.84 LTA4H (0.45) CHRNA7LMNAALDH1A1HTTKMT2A
SCHEMBL22221483 0.81 MAPT (0.52) HPGDCHRNA7LMNAUSP2ALOX15
SCHEMBL2521411 0.80 PPARA (0.68) HPGDCHRNA7LMNAUSP2ALOX15
SCHEMBL7502501 0.80 LTA4H (0.50) LMNAALDH1A1KDM4EMAPTTSHR
Hydrochloric Acid SCHEMBL25437917 0.80 PPARA (0.67) HPGDCHRNA7LMNAUSP2ALOX15
SCHEMBL11083943 0.80 KMT2A (0.46) HPGDCHRNA7LMNAUSP2ALOX15
SCHEMBL11270341 0.79 ALDH1A1 (0.54) HPGDLMNAUSP2TP53ALDH1A1
SCHEMBL22221531 0.78 LIPE (0.53) HPGDLMNAUSP2ALOX15ALDH1A1

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 4 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
EP-0763022-A1 PHENOXYALKYL SUBSTITUTED PIPERIDINES, PYRROLIDINES, MORPHOLINES AND THIOMORPHOLINES AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-03-19 EP disclosed
WO-1995033723-A1 PHENOXYALKYL SUBSTITUTED PIPERIDINES, PYRROLIDINES, MORPHOLINES AND THIOMORPHOLINES AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-12-14 WO disclosed