SCHEMBL7471913

SCHEMBL7471913

CCc1ccc(NCC(C)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
GAA P10253 4/20 0.52
MAPT P10636 3/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
ALOX15 P16050 2/20 0.52
ALOX12 P18054 2/20 0.52
MAPK1 P28482 2/20 0.52
HSD17B10 Q99714 2/20 0.52
POLB P06746 2/20 0.52
HPGD P15428 2/20 0.52
APAF1 O14727 1/20 0.52
USP2 O75604 1/20 0.52
CASP1 P29466 1/20 0.52
BLM P54132 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50

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
SCHEMBL10955013 0.84 ALDH1A1 (0.52) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL18683877 0.82 CA12 (0.52) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL6249295 0.81 POLB (0.49) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL9111497 0.81 CYP4F2 (0.49) POLBCA12CA1CA2CA7
SCHEMBL11193647 0.79 TDP1 (0.39) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL12378828 0.79 MEN1 (0.52) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL4582345 0.79 MAPT (0.54) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL9419326 0.79 MAPT (0.54) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL13980714 0.79 HPGD (0.59) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL23310021 0.78 POLB (0.66) ALDH1A1GAAMAPTKMT2AMEN1

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 7 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
CN-1052224-C Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 2000-05-10 CN 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
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP 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