SCHEMBL7413700

SCHEMBL7413700

CCOC(=O)CNC(C)(C(=O)N1CCCC1)c1ccc2c(c1)nc(CNc1ccc(C(=N)NC(=O)OCc3ccccc3)cc1)n2C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.64
F10 P00742 5/20 0.64
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NQO2 P16083 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
HDAC6 Q9UBN7 4/20 0.40
PLG P00747 3/20 0.37
SLC22A2 O15244 1/20 0.36
PLAT P00750 1/20 0.36
PROC P04070 1/20 0.36
HPN P05981 1/20 0.36
SLC47A2 Q86VL8 1/20 0.36
SLC47A1 Q96FL8 1/20 0.36
NR1I2 O75469 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
SLC6A2 P23975 1/20 0.36
AGTR1 P30556 1/20 0.36

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
SCHEMBL7418085 0.94 F2 (0.69) F2F10NPC1RAB9ANQO2
SCHEMBL7416848 0.92 F2 (0.68) F2F10NPC1RAB9ANQO2
SCHEMBL7097035 0.92 F2 (0.68) F2F10NPC1RAB9ANQO2
SCHEMBL7488074 0.91 F2 (0.65) F2F10NPC1RAB9ANQO2
SCHEMBL7417234 0.90 F2 (0.64) F2F10NPC1RAB9ANQO2
SCHEMBL7415573 0.90 F2 (0.64) F2F10NPC1RAB9ANQO2
SCHEMBL7412760 0.89 F2 (0.63) F2F10NPC1RAB9ANQO2
SCHEMBL7413543 0.89 F2 (0.63) F2F10NPC1RAB9ANQO2
SCHEMBL7099689 0.88 F2 (0.67) F2F10NPC1RAB9ANQO2
SCHEMBL7413418 0.88 F2 (0.70) F2F10NPC1RAB9ANQO2

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