SCHEMBL7982484

SCHEMBL7982484

CC(=O)N(c1ccccc1)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
KCNA5 P22460 3/20 0.47
PTGIR P43119 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 4/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 2/20 0.44
APP P05067 1/20 0.44
HCAR3 P49019 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNN4 O15554 1/20 0.43
NPC1 O15118 2/20 0.43
APAF1 O14727 1/20 0.43
NOTUM Q6P988 1/20 0.43
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
PLOD2 O00469 1/20 0.42

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
SCHEMBL14817119 0.88 RAB9A (0.45) HTTGAAHPGDTSHRKMT2A
SCHEMBL23865283 0.87 PTGIR (0.49) PTGIRGAAHPGDTSHRKMT2A
SCHEMBL6341084 0.87 GAA (0.41) HTTKCNA5PTGIRGAAHPGD
SCHEMBL7982157 0.84 NPSR1 (0.47) HTTKCNA5NPSR1TSHRALDH1A1
SCHEMBL741752 0.82 NPSR1 (0.64) HTTNPSR1GAAHPGDTSHR
SCHEMBL7112425 0.82 KCNA5 (0.47) HTTKCNA5PTGIRNPSR1GAA
SCHEMBL1648430 0.82 KCNA5 (0.47) HTTKCNA5PTGIRNPSR1GAA
SCHEMBL12782094 0.82 ALDH1A1 (0.51) NPSR1GAAHPGDALDH1A1MEN1
SCHEMBL3929961 0.81 GRM5 (0.49) KCNA5GAAHPGDTSHRALDH1A1
SCHEMBL16398787 0.81 GAA (0.50) HTTKCNA5PTGIRNPSR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101203495-B Benzocycloheptapyridine compounds as inhibitors of receptor tyrosine kinase MET MERCK SHARP & DOHME 2013-07-17 CN claimed
CN-102731499-B Lactam compound and the application as medicine thereof Because of C1-esteraseremmer-N parent corporation (US) 2016-01-13 CN disclosed
CN-101203495-B Benzocycloheptapyridine compounds as inhibitors of receptor tyrosine kinase MET MERCK SHARP & DOHME 2013-07-17 CN disclosed
CN-103087078-A Thienopyridine and furopyridine kinase inhibitors ABBOTT LAB 2013-05-08 CN disclosed
CN-102007127-A Furo- and thieno [3,2-c] pyridines OSI PHARM INC 2011-04-06 CN disclosed
US-6235730-B1 ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT JAPAN TOBACCO, INC. (JP) 2001-05-22 US disclosed
CN-1252068-A 3-piperidyl-4-oxoquinazoline derivatives and pharmaceutical compositions containing the same JAPAN TOBACCO INC (JP) 2000-05-03 CN disclosed
EP-0970954-A1 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME JAPAN TOBACCO INC. (JP) 2000-01-12 EP disclosed