SCHEMBL4414708

SCHEMBL4414708

Cn1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 20/20 1.00

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
Trifluoroacetic Acid SCHEMBL1385077 0.94 TPSAB1 (1.00) TPSAB1
SCHEMBL15139573 0.87 TPSAB1 (0.76) TPSAB1
SCHEMBL15788481 0.86 TPSAB1 (0.75) TPSAB1
Trifluoroacetic Acid SCHEMBL4409176 0.83 TPSAB1 (1.00) TPSAB1
Trifluoroacetic Acid SCHEMBL4412972 0.82 TPSAB1 (1.00) TPSAB1
SCHEMBL6871088 0.82 TPSAB1 (0.70) TPSAB1
Trifluoroacetic Acid SCHEMBL4395988 0.82 TPSAB1 (0.79) TPSAB1
SCHEMBL15981355 0.80 TPSAB1 (0.66) TPSAB1
SCHEMBL27249754 0.78 TPSAB1 (0.62) TPSAB1
SCHEMBL13830408 0.77 TPSAB1 (0.62) TPSAB1

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-1296972-B1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-12-23 EP claimed
EP-2367812-B1 [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-[7-FLUORO-1-(2-METHOXY-ETHYL)-4TRIFLUOROMETHOXY-1H-INDOL-3-YL]METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE SANOFI SA (FR) 2015-09-16 EP disclosed
EP-2480232-B1 DISUBSTITUTED ]4-(5-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-1H-INDOL-3-YL]-METHANONES SANOFI SA (FR) 2013-10-02 EP disclosed
US-8497379-B2 Method and intermediates for the preparation of 2,2,2-trifluoro-N-(4-fluoro-3-pyridin-4-yl-benzyl)-acetamide hydrochloride SANOFI (FR) 2013-07-30 US disclosed