SCHEMBL7416669

SCHEMBL7416669

CCOC(=O)C(NCC(C)(C(=O)N1CCCC1)c1ccc2c(c1)nc(CNc1ccc(C(=N)NC(=O)c3cccnc3)cc1)n2C)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.48
F10 P00742 5/20 0.48
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
NQO2 P16083 2/20 0.38
HDAC6 Q9UBN7 4/20 0.38
MAPK1 P28482 1/20 0.35
PLG P00747 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC22A2 O15244 1/20 0.34
PLAT P00750 1/20 0.34
PROC P04070 1/20 0.34
HPN P05981 1/20 0.34
SLC47A2 Q86VL8 1/20 0.34
SLC47A1 Q96FL8 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
SCHEMBL7415361 0.94 F2 (0.53) F2F10NPC1RAB9APRSS1
SCHEMBL7418436 0.91 F2 (0.53) F2F10NPC1RAB9APRSS1
SCHEMBL7421039 0.90 F2 (0.54) F2F10NPC1RAB9APRSS1
SCHEMBL7416318 0.88 F2 (0.51) F2F10NPC1RAB9APRSS1
SCHEMBL7414460 0.88 F2 (0.53) F2F10NPC1RAB9APRSS1
Hydrochloric Acid SCHEMBL7415592 0.86 F2 (0.63) F2F10NPC1RAB9APRSS1
SCHEMBL7416495 0.86 F2 (0.51) F2F10NPC1RAB9APRSS1
Hydrochloric Acid SCHEMBL7418824 0.86 F2 (0.62) F2F10NPC1RAB9APRSS1
SCHEMBL7413831 0.85 F2 (0.62) F2F10NPC1RAB9APRSS1
SCHEMBL7414149 0.83 F2 (0.52) F2F10NPC1RAB9APRSS1

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