SCHEMBL6638366

SCHEMBL6638366

COC(=O)[C@H](Cc1cccc(C#N)c1)[C@@H](C)NC(=O)c1ccc(-c2ccc(=O)[nH]c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.55
PRSS1 P07477 17/20 0.55
F2 P00734 5/20 0.55
PLG P00747 1/20 0.55
TMPRSS2 O15393 1/20 0.51

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
SCHEMBL6638363 1.00 F10 (0.55) F10PRSS1F2PLGTMPRSS2
SCHEMBL12521570 0.85 F10 (0.71) F10PRSS1F2PLGTMPRSS2
SCHEMBL6639294 0.82 F10 (0.55) F10PRSS1F2PLGTMPRSS2
SCHEMBL6639291 0.82 F10 (0.55) F10PRSS1F2PLGTMPRSS2
Trifluoroacetic Acid SCHEMBL6641247 0.80 F10 (0.73) F10PRSS1F2PLGTMPRSS2
Trifluoroacetic Acid SCHEMBL7902234 0.80 F10 (0.73) F10PRSS1F2PLGTMPRSS2
SCHEMBL13636689 0.74 NLRP3 (0.48) F10PRSS1F2PLGTMPRSS2
SCHEMBL15607589 0.74 NLRP3 (0.51)
SCHEMBL4955572 0.74 DPP4 (0.42)
SCHEMBL7898536 0.74 F10 (0.57) F10PRSS1F2PLGTMPRSS2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0931060-A4 SUBSTITUTED N- (AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL]PROPYL AMIDES AVENTIS PHARMA INC (US) 2004-10-06 EP disclosed
US-6323227-B1 PRODRUGS AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-11-27 US disclosed
EP-0931060-A1 SUBSTITUTED N- (AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL]PROPYL AMIDES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-28 EP disclosed
WO-1999000356-A1 SUBSTITUTED N-[(AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL]PROPYL AMIDES RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1999-01-07 WO disclosed