SCHEMBL7422682

SCHEMBL7422682

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.53
CTRC Q99895 3/20 0.46
F10 P00742 2/20 0.46
KLK1 P06870 2/20 0.46
CHRM4 P08173 1/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL7443425 0.91 F2 (0.54) F2CTRCF10KLK1
SCHEMBL7359256 0.91 F2 (0.53) F2CTRCF10KLK1
SCHEMBL7360493 0.91 F2 (0.53) F2CTRCF10KLK1
Bromide SCHEMBL7365314 0.90 F2 (0.52) F2CTRCF10KLK1
SCHEMBL7479296 0.90 F2 (0.48) F2CTRCF10KLK1OPRK1
Bromide SCHEMBL7365316 0.90 F2 (0.52) F2CTRCF10KLK1
SCHEMBL7418302 0.88 F2 (0.53) F2CTRCF10KLK1OPRK1
SCHEMBL7423601 0.88 F2 (0.53) F2CTRCF10KLK1OPRK1
SCHEMBL7418322 0.86 MAPT (0.44) F2CTRCF10KLK1
Hydrochloric Acid SCHEMBL7422561 0.78 NPC1 (0.52) 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 2 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-1996029327-A1 TRYPSIN AND THROMBIN INHIBITORS NOVARTIS AG (CH) 1996-09-26 WO disclosed