SCHEMBL7359256

SCHEMBL7359256

N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCF)CC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.53
CTRC Q99895 2/20 0.53
F10 P00742 1/20 0.46
KLK1 P06870 1/20 0.46

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
SCHEMBL7360493 1.00 F2 (0.53) F2CTRCF10KLK1
Bromide SCHEMBL7365314 0.99 F2 (0.52) F2CTRCF10KLK1
Bromide SCHEMBL7365316 0.99 F2 (0.52) F2CTRCF10KLK1
SCHEMBL7443425 0.92 F2 (0.54) F2CTRCF10KLK1
SCHEMBL7479296 0.91 F2 (0.48) F2CTRCF10KLK1
SCHEMBL7422682 0.91 F2 (0.53) F2CTRCF10KLK1
SCHEMBL7423601 0.88 F2 (0.53) F2CTRCF10KLK1
SCHEMBL7418302 0.88 F2 (0.53) F2CTRCF10KLK1
SCHEMBL7418322 0.87 MAPT (0.44) F2CTRCF10KLK1
SCHEMBL7425451 0.84 DRD2 (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815103-A1 TRYPSIN AND THROMBIN INHIBITORS Novartis AG (CH) 1998-01-07 EP disclosed
WO-1997046553-A1 THROMBIN INHIBITORS NOVARTIS AG (CH) 1997-12-11 WO disclosed
WO-1996029327-A1 TRYPSIN AND THROMBIN INHIBITORS NOVARTIS AG (CH) 1996-09-26 WO disclosed