SCHEMBL7424938

SCHEMBL7424938

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 16/20 0.47
FNTB P49356 16/20 0.47
PGGT1B P53609 11/20 0.47
KCNH2 Q12809 7/20 0.47
DPP4 P27487 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
CYP3A4 P08684 1/20 0.43
HSD11B1 P28845 1/20 0.42

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
Hydrochloric Acid SCHEMBL2328817 0.99 FNTA (0.47) FNTAFNTBPGGT1BKCNH2DPP4
Hydrochloric Acid SCHEMBL2328814 0.99 FNTA (0.47) FNTAFNTBPGGT1BKCNH2DPP4
SCHEMBL7482530 0.83 SIRT2 (0.48) FNTAFNTBPGGT1BKCNH2DPP4
SCHEMBL7419120 0.83 SIRT2 (0.48) FNTAFNTBPGGT1BKCNH2DPP4
Hydrochloric Acid SCHEMBL2327302 0.82 SIRT2 (0.47) FNTAFNTBPGGT1BKCNH2DPP4
Hydrochloric Acid SCHEMBL7424649 0.82 SIRT2 (0.47) FNTAFNTBPGGT1BKCNH2DPP4
Hydrochloric Acid SCHEMBL2327307 0.82 SIRT2 (0.47) FNTAFNTBPGGT1BKCNH2DPP4
Methylene Chloride SCHEMBL27479070 0.82 SIRT2 (0.45) FNTAFNTBPGGT1BKCNH2DPP4
SCHEMBL1543163 0.81 KDM4E (0.44) FNTAFNTBPGGT1BKCNH2
SCHEMBL7424934 0.81 FNTA (0.44) FNTAFNTBPGGT1BKCNH2DPP4

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