SCHEMBL3635112

SCHEMBL3635112

COC(=O)[N]C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
EPHX2 P34913 3/20 0.32
HTT P42858 1/20 0.32
EPHX1 P07099 6/20 0.31
ALDH1A1 P00352 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31
POLB P06746 2/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL7472628 0.98 NPSR1 (0.38) NPSR1MEN1KMT2ASMN1; SMN2EPHX2
SCHEMBL8393997 0.98 NPSR1 (0.38) NPSR1MEN1KMT2ASMN1; SMN2EPHX2
SCHEMBL8393814 0.95
SCHEMBL7479642 0.90
SCHEMBL7476610 0.76 ALDH1A1 (0.40) MEN1KMT2AALDH1A1
SCHEMBL8393516 0.74 ALDH1A1 (0.42) NPSR1MEN1KMT2AEPHX1ALDH1A1
SCHEMBL7476407 0.74 ALDH1A1 (0.42) NPSR1MEN1KMT2AEPHX1ALDH1A1
SCHEMBL5097108 0.72
SCHEMBL8396639 0.71 ALDH1A1 (0.37) KMT2AALDH1A1MAPT
SCHEMBL8396542 0.70 ALDH1A1 (0.39) MEN1KMT2ASMN1; SMN2EPHX2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101835757-B Diacylglycerol acyltransferase inhibitors HOFFMANN LA ROCHE 2014-03-05 CN disclosed
CN-101835757-A Diacylglycerol acyltransferase inhibitors HOFFMANN LA ROCHE 2010-09-15 CN disclosed
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed
EP-0923562-B1 SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS BAYER AG (DE) 2002-10-09 EP disclosed
US-6130225-A Substituted p-trifluoromethylphenyluracils BAYER AKTIENGESELLSCHAFT (DE) 2000-10-10 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP disclosed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP disclosed