SCHEMBL491293

SCHEMBL491293

O=C(Nc1ccc(F)cc1)N1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 1.00
SMN1; SMN2 Q16637 4/20 0.71
RAB9A P51151 5/20 0.70
NPC1 O15118 4/20 0.70
ALDH1A1 P00352 1/20 0.70
MEN1 O00255 1/20 0.70
TDP1 Q9NUW8 1/20 0.65
EPHX2 P34913 1/20 0.63
GAA P10253 1/20 0.62
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
TGM2 P21980 1/20 0.61
MAPT P10636 1/20 0.60

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
SCHEMBL4508859 0.95 KMT2A (0.90) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL22218903 0.84 KMT2A (0.73) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL25855522 0.84 RAB9A (0.72) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL1575380 0.83 KMT2A (0.70) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL1574866 0.83 KMT2A (0.70) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL1424855 0.83 KMT2A (0.71) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL17309625 0.83 KMT2A (0.71) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL20236734 0.83 SMN1; SMN2 (1.00) KMT2ASMN1; SMN2RAB9ANPC1MEN1
SCHEMBL20236696 0.83 KMT2A (0.71) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL2054569 0.83 KMT2A (0.71) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1

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
CN-116829542-A Benzothiazole and benzimidazole derivatives, pharmaceutically acceptable salts, preparation method thereof and pharmaceutical composition containing same as active ingredient 韩国化学研究院 2023-09-29 CN disclosed
US-8106048-B2 protozoal infestations in humans and animals, by bacteria, viruses or proteinaceous agents; neurological diseases or disorders; ischemia and/or reperfusion injury; 4-(4-Ethoxycarbonyl-4,5-dihydro-thiazol-2-yl)-piperidine-1-carboxylic acid t-butyl ester 4SC AG (DE) 2012-01-31 US disclosed
EP-1773796-B1 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-03-03 EP disclosed
EP-1773796-A2 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-04-18 EP disclosed
WO-2006021655-A2 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2006-03-02 WO disclosed
EP-0898569-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GmbH (DE) 1999-03-03 EP disclosed
WO-1997040038-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GMBH (DE) 1997-10-30 WO disclosed