SCHEMBL7418436

SCHEMBL7418436

CCOC(=O)NC(=N)c1ccc(NCc2nc3cc(C(C)(CNC(C(C)=O)C(=O)OCC)C(=O)N4CCCC4)ccc3n2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.53
F10 P00742 5/20 0.53
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC6 Q9UBN7 4/20 0.40
NQO2 P16083 1/20 0.39
PLG P00747 3/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.35
KLK1 P06870 1/20 0.35
KLK5 Q9Y337 1/20 0.35

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
SCHEMBL7414460 0.97 F2 (0.53) F2F10PRSS1PRSS2PRSS3
SCHEMBL7416318 0.95 F2 (0.51) F2F10PRSS1PRSS2PRSS3
SCHEMBL7416495 0.94 F2 (0.51) F2F10PRSS1PRSS2PRSS3
SCHEMBL7415361 0.94 F2 (0.53) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7415592 0.91 F2 (0.63) F2F10PRSS1PRSS2PRSS3
SCHEMBL7416669 0.91 F2 (0.48) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7418824 0.91 F2 (0.62) F2F10PRSS1PRSS2PRSS3
SCHEMBL7414149 0.90 F2 (0.52) F2F10PRSS1PRSS2PRSS3
SCHEMBL7421015 0.89 F2 (0.51) F2F10PRSS1PRSS2PRSS3
SCHEMBL7421039 0.88 F2 (0.54) F2F10PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095025-B1 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2002-12-11 EP disclosed
US-6248770-B1 CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-19 US disclosed