SCHEMBL7416855

SCHEMBL7416855

N#Cc1cc(CN2CC[C@@H](C(N)=O)C2=O)co1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.34
SIRT1 Q96EB6 2/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
F10 P00742 1/20 0.33
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL7416858 0.83 DPP4 (0.33) TNKSTNKS2F10
SCHEMBL7423394 0.83 DPP4 (0.33) TNKSTNKS2F10
SCHEMBL8040065 0.78 TNKS (0.43) SIRT2SIRT1TNKSTNKS2
SCHEMBL7424934 0.78 FNTA (0.44)
SCHEMBL7417088 0.77 CHRNB2 (0.34) SIRT2SIRT1TNKSTNKS2F10
SCHEMBL7419118 0.76 SIRT2 (0.55) SIRT2SIRT1HRH3
SCHEMBL7426687 0.76 SIRT2 (0.55) SIRT2SIRT1HRH3
SCHEMBL8833260 0.76 SIRT2 (0.55) SIRT2SIRT1HRH3
SCHEMBL7416241 0.76 TRPA1 (0.35) SIRT2SIRT1TNKSTNKS2F10
SCHEMBL7418472 0.74 PRMT5 (0.43) SIRT2SIRT1TNKSTNKS2F10

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-0853618-A4 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2000-03-15 EP disclosed
EP-0853618-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-07-22 EP disclosed
WO-1996040679-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-12-19 WO disclosed