SCHEMBL7418004

SCHEMBL7418004

CC(C)(C)OC(=O)N[C@@]1(Cc2cccc(C#N)c2)CCNC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.41
PTGES O14684 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
CTSS P25774 5/20 0.36
CTSK P43235 4/20 0.36
CTSB P07858 3/20 0.36
MAP2K2 P36507 1/20 0.36
CALCRL Q16602 1/20 0.36
MEP1A Q16819 1/20 0.35
MEP1B Q16820 1/20 0.35
RORC P51449 1/20 0.35
FAAH O00519 1/20 0.35
VNN1 O95497 2/20 0.35
CTSL P07711 2/20 0.35
TRPA1 O75762 1/20 0.35
CYP2D6 P10635 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7369194 0.85 PPIA (0.39) PPIADDB1CRBNCTSLTRPA1
SCHEMBL7424937 0.85 PPIA (0.38) PPIADDB1CRBNCTSL
SCHEMBL7428389 0.82 PPIA (0.35) PPIACTSLTRPA1
SCHEMBL7378722 0.79 CTSL (0.39) CTSSCTSKCTSBCTSL
SCHEMBL7375758 0.77 PPIA (0.43) PPIA
SCHEMBL7375460 0.77 PPIA (0.44) PPIACRBN
SCHEMBL7374454 0.76 PPIA (0.38) PPIA
SCHEMBL8227060 0.75 PPIA (0.42) PPIACTSSCTSKCTSBCTSL
SCHEMBL7376570 0.75 PPIA (0.38) PPIA
SCHEMBL7374752 0.74 MAP4K4 (0.41) 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