SCHEMBL7472487

SCHEMBL7472487

CCCOC(=O)Nc1ccc(CC)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.67
ALDH1A1 P00352 5/20 0.67
MAPK1 P28482 3/20 0.67
RAB9A P51151 7/20 0.59
NPC1 O15118 5/20 0.59
CASP1 P29466 1/20 0.59
HPGD P15428 6/20 0.58
TP53 P04637 2/20 0.58
MAPT P10636 3/20 0.55
KDM4E B2RXH2 1/20 0.55
MCL1 Q07820 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
THRB P10828 1/20 0.54
SRC P12931 1/20 0.51
TSHR P16473 1/20 0.49
FAAH O00519 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49

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
SCHEMBL27110837 0.95 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1
SCHEMBL7562459 0.91 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1
SCHEMBL1021995 0.90 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1
SCHEMBL9211588 0.88 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1
SCHEMBL2056324 0.88 RAB9A (0.54) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1
SCHEMBL13387551 0.88 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1
SCHEMBL7562461 0.88 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1
SCHEMBL2056321 0.87 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1
SCHEMBL13073361 0.87 RAB9A (0.56) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1
SCHEMBL11338386 0.86 RAB9A (0.57) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP disclosed
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
US-5760058-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-06-02 US disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed