SCHEMBL7472113

SCHEMBL7472113

CC(=O)CNC(=O)c1sccc1C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 3/20 0.50
GSK3B P49841 1/20 0.50
PPARG P37231 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
NAMPT P43490 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 2/20 0.49
HPGD P15428 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL8791459 0.83 HPGD (0.54) KMT2ANPC1RAB9AL3MBTL1GAA
SCHEMBL3370667 0.82 PKM (0.60) KMT2ANPC1RAB9AL3MBTL1GAA
SCHEMBL28364538 0.79 KMT2A (0.55) KMT2ANPC1RAB9AL3MBTL1GAA
SCHEMBL6360579 0.79 NPC1 (0.59) KMT2ANPC1RAB9AL3MBTL1GAA
SCHEMBL2482673 0.78 GSK3B (0.56) KMT2ANPC1RAB9AL3MBTL1GAA
SCHEMBL29988558 0.77 KMT2A (0.47) KMT2ANPC1RAB9AL3MBTL1GAA
SCHEMBL12031648 0.77 RAB9A (0.50) KMT2ANPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL5903882 0.77 GSK3B (0.65) KMT2ANPC1RAB9AL3MBTL1GAA
SCHEMBL7983727 0.76 GAA (0.67) KMT2ANPC1RAB9AL3MBTL1GAA
SCHEMBL3049318 0.76 KMT2A (0.66) KMT2ANPC1RAB9AL3MBTL1ALDH1A1

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 6 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
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