SCHEMBL7252107

SCHEMBL7252107

Cn1c(CCc2ccc(C#N)cc2)nc2cc(C(=O)N(CCC(c3ccccc3)c3ccccc3)Cc3ccc(C#N)cc3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.49
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
HAT1 O14929 4/20 0.41
EP300 Q09472 4/20 0.41
CNR2 P34972 4/20 0.41
CNR1 P21554 2/20 0.41
HDAC1 Q13547 5/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 6/20 0.40
GLP1R P43220 1/20 0.39
GCGR P47871 1/20 0.39

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
SCHEMBL7245070 0.90 F2 (0.53) F2BCHEACHEFNTAFNTB
SCHEMBL7244643 0.88 F2 (0.50) F2BCHEACHEFNTAFNTB
Hydrochloric Acid SCHEMBL7252424 0.88 F2 (0.52) F2BCHEACHECNR2CNR1
Hydrochloric Acid SCHEMBL7246507 0.87 F2 (0.63) F2BCHEACHE
SCHEMBL7249259 0.82 EPHX2 (0.48) F2BCHEHAT1EP300CNR2
SCHEMBL7245210 0.82 F2 (0.51) F2BCHEACHEFNTAFNTB
SCHEMBL7247840 0.81 NSD2 (0.52) F2CNR2CNR1HDAC1HDAC8
SCHEMBL7245646 0.80 F2 (0.63) F2HDAC1HDAC8HDAC6
SCHEMBL7245916 0.80 F2 (0.46) F2FNTAFNTBCNR2CNR1
SCHEMBL7249769 0.80 HSD17B10 (0.47) F2FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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