SCHEMBL6162892

SCHEMBL6162892

CCOC(=O)C(Cc1ccc(C(=N)N)cc1)NC(=O)c1ccc2c(c1)nc(CCc1ccc(C(=N)N)cc1)n2C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.53
F10 P00742 4/20 0.47
PLG P00747 2/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
NQO2 P16083 1/20 0.43
PPARG P37231 1/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL6165313 0.89 F2 (0.58) F2ITGB3ITGA2BHDAC6HDAC1
SCHEMBL6162641 0.87 CTSG (0.45) F2HDAC6HDAC1
SCHEMBL7244531 0.82 F2 (0.58) F2F10PLGNQO2
SCHEMBL6162574 0.80 F2 (0.52) F2F10PLGNQO2HDAC6
SCHEMBL6160850 0.79 F2 (0.56) F2F10PLGNQO2HDAC1
Hydrochloric Acid SCHEMBL8026991 0.77 F2 (0.54) F2F10PLGNQO2PPARG
SCHEMBL7369551 0.76 F10 (0.55) F2F10PLGNQO2
Hydrochloric Acid SCHEMBL7252029 0.75 F2 (0.61) F2F10PLGNQO2
SCHEMBL7251622 0.75 F2 (0.60) F2HDAC6HDAC1
Hydrochloric Acid SCHEMBL6476029 0.75 F2 (0.53) F2F10HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1210335-B1 AMINOCARBONYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCING SAME AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-14 EP disclosed
US-6512000-B1 Aminocarbonyl- substituted benzimidazole derivatives for the treatment of diseases in which inhibition of tryptase is of therapeutic such as for treating an inflammatory or allergic disease BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-28 US disclosed
EP-1210335-A1 AMINOCARBONYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCING SAME AND THE USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2002-06-05 EP disclosed
WO-2001014342-A1 AMINOCARBONYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCING SAME AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-01 WO disclosed