SCHEMBL7424934

SCHEMBL7424934

N#Cc1ccc(CN2CC[C@@H](C(N)=O)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.44
FNTB P49356 10/20 0.44
PGGT1B P53609 8/20 0.44
KCNH2 Q12809 5/20 0.44
DPP4 P27487 2/20 0.43
DPP8 Q6V1X1 1/20 0.43
PRKAA2 P54646 1/20 0.41
EPHX1 P07099 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL8833260 0.85 SIRT2 (0.55) KCNH2DPP4DPP8EPHX1
SCHEMBL7426687 0.85 SIRT2 (0.55) KCNH2DPP4DPP8EPHX1
SCHEMBL7419118 0.85 SIRT2 (0.55) KCNH2DPP4DPP8EPHX1
SCHEMBL6206674 0.83 GAA (0.53)
SCHEMBL7829097 0.82 HDAC1 (0.49) CYP2C9KMT2A
SCHEMBL7417913 0.82 SIRT2 (0.35) FNTAFNTBPGGT1BKCNH2DPP4
SCHEMBL8042725 0.82 SIRT2 (0.35) FNTAFNTBPGGT1BDPP4
SCHEMBL8040065 0.82 TNKS (0.43) KCNH2DPP4DPP8CYP1A2TSHR
SCHEMBL8029685 0.82 SIRT2 (0.35) FNTAFNTBPGGT1BKCNH2DPP4
SCHEMBL8029146 0.82 SIRT2 (0.35) FNTAFNTBPGGT1BDPP4

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