SCHEMBL7416495

SCHEMBL7416495

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.51
F10 P00742 4/20 0.51
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NR1I2 O75469 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
SLC6A2 P23975 1/20 0.39
AGTR1 P30556 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SCN5A Q14524 1/20 0.39
HDAC6 Q9UBN7 3/20 0.37
NQO2 P16083 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
PLG P00747 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL7421015 0.96 F2 (0.51) F2F10PRSS1PRSS2PRSS3
SCHEMBL7418436 0.94 F2 (0.53) F2F10PRSS1PRSS2PRSS3
SCHEMBL7414149 0.93 F2 (0.52) F2F10PRSS1PRSS2PRSS3
SCHEMBL7414460 0.91 F2 (0.53) F2F10PRSS1PRSS2PRSS3
SCHEMBL7416318 0.90 F2 (0.51) F2F10PRSS1PRSS2PRSS3
SCHEMBL7415361 0.89 F2 (0.53) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7415592 0.87 F2 (0.63) F2F10PRSS1PRSS2PRSS3
SCHEMBL7416669 0.86 F2 (0.48) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7418824 0.86 F2 (0.62) F2F10PRSS1PRSS2PRSS3
SCHEMBL7413543 0.85 F2 (0.63) 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