SCHEMBL7420186

SCHEMBL7420186

Cc1ccc(CN[C@H]2CCN(Cc3cccc(C#N)c3)C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FNTA P49354 14/20 0.55
FNTB P49356 14/20 0.55
PGGT1B P53609 12/20 0.55
KCNH2 Q12809 2/20 0.55
CYP3A4 P08684 1/20 0.55
MCHR1 Q99705 1/20 0.45
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 1/20 0.41
DRD4 P21917 1/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 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
SCHEMBL7428975 0.92 FNTA (0.53) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7424679 0.91 FNTA (0.59) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7418605 0.89 FNTA (0.53) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7417103 0.88 FNTA (0.57) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7420603 0.86 KCNH2 (0.53) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7423027 0.85 FNTA (0.53) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7421298 0.85 FNTA (0.53) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7419872 0.85 FNTA (0.51) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7422619 0.84 FNTA (0.51) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7418569 0.84 FNTA (0.58) 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