SCHEMBL7412992

SCHEMBL7412992

CC(C)OC(=O)CNC(C)(C(=O)N1CCCC1)c1ccc2c(c1)nc(CNc1ccc(C(=N)NC(=O)OCC(Cl)(Cl)Cl)cc1)n2C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.63
F10 P00742 4/20 0.63
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
THRB P10828 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC6 Q9UBN7 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PLG P00747 2/20 0.36
NQO2 P16083 1/20 0.35
LMNA P02545 1/20 0.35
KLK1 P06870 1/20 0.34

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
SCHEMBL7415573 0.93 F2 (0.64) F2F10PRSS1PRSS2PRSS3
SCHEMBL7423452 0.90 F2 (0.62) F2F10PRSS1PRSS2PRSS3
SCHEMBL7415709 0.90 F2 (0.62) F2F10PRSS1PRSS2PRSS3
SCHEMBL7408716 0.89 F2 (0.68) F2F10PRSS1PRSS2PRSS3
SCHEMBL7418085 0.88 F2 (0.69) F2F10PRSS1PRSS2PRSS3
SCHEMBL7488074 0.85 F2 (0.65) F2F10PRSS1PRSS2PRSS3
SCHEMBL7417234 0.84 F2 (0.64) F2F10PRSS1PRSS2PRSS3
SCHEMBL7408749 0.84 F2 (0.64) F2F10PRSS1PRSS2PRSS3
SCHEMBL7413543 0.83 F2 (0.63) F2F10PRSS1PRSS2PRSS3
SCHEMBL7102588 0.83 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