SCHEMBL7417103

SCHEMBL7417103

N#Cc1cccc(CN2CC[C@H](NCc3ccncc3)C2=O)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 15/20 0.57
FNTB P49356 15/20 0.57
PGGT1B P53609 12/20 0.57
KCNH2 Q12809 3/20 0.57
CYP3A4 P08684 1/20 0.57
ROCK2 O75116 3/20 0.49
ROCK1 Q13464 1/20 0.49
F10 P00742 1/20 0.44
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 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
SCHEMBL7424679 0.91 FNTA (0.59) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7418569 0.90 FNTA (0.58) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7420186 0.88 FNTA (0.55) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7428975 0.85 FNTA (0.53) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7423027 0.85 FNTA (0.53) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7421298 0.85 FNTA (0.53) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7418605 0.85 FNTA (0.53) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7423011 0.85 FNTA (0.53) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7420603 0.84 KCNH2 (0.53) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7422619 0.84 FNTA (0.51) FNTAFNTBPGGT1BKCNH2CYP3A4

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