SCHEMBL7379487

SCHEMBL7379487

NCc1ccc(Cl)cc1CN1CCC[C@H]1C(=O)NC(=O)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.54
F10 P00742 2/20 0.45
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45

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
SCHEMBL7465507 0.83 F2 (0.54) F2F10PRSS1PRSS2PRSS3
SCHEMBL7378295 0.82 F2 (0.62) F2F10PRSS1PRSS2PRSS3
SCHEMBL6920901 0.82 F2 (0.50) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL6919984 0.81 F2 (0.51) F2F10PRSS1PRSS2PRSS3
SCHEMBL7372916 0.80 F2 (0.54) F2F10PRSS1PRSS2PRSS3
SCHEMBL7374615 0.80 F2 (0.62) F2F10PRSS1PRSS2PRSS3
SCHEMBL7378926 0.80 F2 (0.47) F2F10PRSS1PRSS2PRSS3
SCHEMBL7377464 0.79 F2 (0.54) F2F10PRSS1PRSS2PRSS3
SCHEMBL7375268 0.79 F2 (0.60) F2F10PRSS1PRSS2PRSS3
SCHEMBL7380017 0.79 F2 (0.61) F2F10PRSS1PRSS2PRSS3

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
WO-2002050056-A1 BENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-06-27 WO disclosed