SCHEMBL7380428

SCHEMBL7380428

NC(c1ccc(Cl)cc1CN1CCC[C@H]1C(=O)NC(=O)[C@H](O)C1CCCCC1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.48
F10 P00742 4/20 0.39
PRSS1 P07477 4/20 0.39
PRSS2 P07478 4/20 0.39
PRSS3 P35030 4/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
F12 P00748 2/20 0.39
F7 P08709 2/20 0.39
METAP2 P50579 2/20 0.37
DDR1 Q08345 4/20 0.37
GPBAR1 Q8TDU6 1/20 0.37

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
SCHEMBL7380017 0.85 F2 (0.61) F2F10PRSS1PRSS2PRSS3
SCHEMBL7379382 0.83 F2 (0.54) F2F10PRSS1PRSS2PRSS3
SCHEMBL7380681 0.81 F2 (0.41) F2F10PRSS1PRSS2PRSS3
SCHEMBL7377741 0.80 F2 (0.42) F2F10PRSS1PRSS2PRSS3
SCHEMBL7377365 0.79 F2 (0.49) F2F10PRSS1PRSS2PRSS3
SCHEMBL6926319 0.78 F2 (0.75) F2F10PRSS1PRSS2PRSS3
SCHEMBL7372916 0.78 F2 (0.54) F2F10PRSS1PRSS2PRSS3
SCHEMBL7379416 0.77 F2 (0.44) F2F10PRSS1PRSS2PRSS3
SCHEMBL7377973 0.76 F2 (0.43) F2TSHRMAPK1RECQLMETAP2
SCHEMBL7379392 0.72 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