SCHEMBL8939612

SCHEMBL8939612

CN[C@H](Cc1ccccc1)C(=O)NC(=O)[C@@H]1CCCN1[C@@H](CCCNC(=N)N)C(=O)c1nc2ccc(O)cc2s1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.40
MAOB P27338 4/20 0.39
MAPT P10636 1/20 0.38
SNCA P37840 1/20 0.38
NMUR2 Q9GZQ4 2/20 0.37
NMUR1 Q9HB89 2/20 0.37
EPHA2 P29317 2/20 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
SCHEMBL6976859 0.94 F2 (0.39) F2
SCHEMBL8939663 0.94 F2 (0.39) F2
SCHEMBL7506385 0.94 F2 (0.40) F2NMUR2NMUR1EPHA2
SCHEMBL2526255 0.94 F2 (0.46) F2
SCHEMBL7496053 0.93 TP53 (0.39) F2MAOBMAPT
SCHEMBL7546883 0.92 F2 (0.41) F2
SCHEMBL7504596 0.92 F2 (0.45) F2
SCHEMBL7502292 0.89 F2 (0.36) F2NMUR2NMUR1
SCHEMBL6967946 0.86 F2 (0.38) F2NMUR2NMUR1EPHA2
SCHEMBL8939655 0.85 F2 (0.47) 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
US-5523308-A SERINE PROTEASES INHIBITORS; ORAL ANTICOAGULANTS; CHEMICAL INTERMEDIATES; DIPEPTIDES ORTHO PHARMACEUTICAL CORPORATION 1996-06-04 US claimed