SCHEMBL7428389

SCHEMBL7428389

CC(C)(C)OC(=O)N[C@@]1(Cc2csc(C#N)c2)CCNC1=O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.35
TRPA1 O75762 1/20 0.33
CTSL P07711 1/20 0.32

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
SCHEMBL7418004 0.82 PPIA (0.41) PPIATRPA1CTSL
SCHEMBL7424937 0.80 PPIA (0.38) PPIACTSL
SCHEMBL7369194 0.80 PPIA (0.39) PPIATRPA1CTSL
SCHEMBL7378722 0.77 CTSL (0.39) CTSL
SCHEMBL7375758 0.72 PPIA (0.43) PPIA
SCHEMBL7376052 0.72 CTSL (0.36) PPIACTSL
SCHEMBL7426988 0.71 TRPA1 (0.35) TRPA1
SCHEMBL7375460 0.71 PPIA (0.44) PPIA
SCHEMBL7374454 0.70 PPIA (0.38) PPIA
SCHEMBL7376570 0.70 PPIA (0.38) PPIA

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-0894088-A4 SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2001-12-05 EP disclosed
EP-0894088-A1 SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-02-03 EP disclosed
WO-1998024784-A1 SUBSTITUTED SULFONIC ACID N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-11 WO disclosed