SCHEMBL7377973

SCHEMBL7377973

NC(Cc1ccc(Cl)cc1CN1CCC[C@H]1C(=O)NC(=O)[C@H](N)C1CCCCC1)C(F)F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.43
METAP2 P50579 4/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
GPBAR1 Q8TDU6 8/20 0.37
METAP1 P53582 1/20 0.36

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
SCHEMBL7377741 0.89 F2 (0.42) F2METAP2TSHRMAPK1RECQL
SCHEMBL7372916 0.88 F2 (0.54) F2METAP2TSHRMAPK1RECQL
SCHEMBL7380017 0.79 F2 (0.61) F2METAP2TSHRMAPK1RECQL
SCHEMBL7379382 0.78 F2 (0.54) F2METAP2TSHRMAPK1RECQL
SCHEMBL7594533 0.78 F2 (0.66) F2
SCHEMBL7380428 0.76 F2 (0.48) F2METAP2TSHRMAPK1RECQL
SCHEMBL7377979 0.75 F2 (0.49) F2
SCHEMBL6920901 0.74 F2 (0.50) F2
SCHEMBL7465507 0.73 F2 (0.54) F2
Hydrochloric Acid SCHEMBL6919984 0.73 F2 (0.51) F2

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