SCHEMBL4396213

SCHEMBL4396213

NCc1cccc(C2CCN(C(=O)c3cccc(CCc4ccccc4F)c3)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 11/20 0.52
PARP10 Q53GL7 2/20 0.47
PARP14 Q460N5 1/20 0.47

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 SCHEMBL1382740 0.95 TPSAB1 (0.61) TPSAB1
SCHEMBL1381265 0.89 TPSAB1 (0.58) TPSAB1PARP10PARP14
Hydrochloric Acid SCHEMBL4412707 0.88 TPSAB1 (0.52) TPSAB1
Hydrochloric Acid SCHEMBL4408179 0.88 TPSAB1 (0.57) TPSAB1PARP10PARP14
SCHEMBL1384004 0.84 TPSAB1 (0.52) TPSAB1
Hydrochloric Acid SCHEMBL4404661 0.83 TPSAB1 (0.52) TPSAB1
Trifluoroacetic Acid SCHEMBL4411930 0.83 TPSAB1 (0.59) TPSAB1
SCHEMBL16771622 0.82 TPSAB1 (0.57) TPSAB1
Trifluoroacetic Acid SCHEMBL4412795 0.82 TPSAB1 (0.59) TPSAB1
Hydrochloric Acid SCHEMBL4396157 0.80 TPSAB1 (0.58) 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 1 patent. 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