SCHEMBL7419635

SCHEMBL7419635

N#Cc1cccc(CN2CCCC[C@@H](C(N)=O)C2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
EPHX1 P07099 1/20 0.47
DPP7 Q9UHL4 2/20 0.44
DPP4 P27487 1/20 0.44
FAP Q12884 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
HSD11B1 P28845 1/20 0.43
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
FAAH O00519 1/20 0.42
RORC P51449 1/20 0.41
ADRA1D P25100 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
CCR3 P51677 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40

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
SCHEMBL7415899 0.97 SIRT2 (0.53) SIRT2SIRT1EPHX1DPP7DPP4
SCHEMBL7419118 0.92 SIRT2 (0.55) SIRT2SIRT1EPHX1DPP7DPP4
SCHEMBL7426687 0.92 SIRT2 (0.55) SIRT2SIRT1EPHX1DPP7DPP4
SCHEMBL8833260 0.92 SIRT2 (0.55) SIRT2SIRT1EPHX1DPP7DPP4
SCHEMBL7427081 0.85 SIRT2 (0.60) SIRT2SIRT1EPHX1DPP7DPP4
SCHEMBL7419637 0.84 SIRT2 (0.46) SIRT2SIRT1EPHX1DPP7DPP4
Hydrochloric Acid SCHEMBL2329416 0.83 SIRT2 (0.45) SIRT2SIRT1EPHX1DPP7DPP4
Hydrochloric Acid SCHEMBL2329419 0.83 SIRT2 (0.45) SIRT2SIRT1EPHX1DPP7DPP4
SCHEMBL7415900 0.80 SIRT2 (0.47) SIRT2SIRT1EPHX1DPP7DPP4
SCHEMBL4349231 0.79 KMT2A (0.53)

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-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
US-5612353-A ANTICOAGULANT RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-03-18 US 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