SCHEMBL7422296

SCHEMBL7422296

N#Cc1cccc(CN2C[C@H](NCc3ccccc3)C2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.49
KDM1A O60341 2/20 0.49
MAOB P27338 2/20 0.49
FNTA P49354 11/20 0.48
FNTB P49356 11/20 0.48
PGGT1B P53609 7/20 0.48
KCNH2 Q12809 2/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
CYP3A4 P08684 1/20 0.46
FAAH O00519 1/20 0.44
CLPP Q16740 1/20 0.43
CHRM3 P20309 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL7424679 0.88 FNTA (0.59) MAOAKDM1AMAOBFNTAFNTB
SCHEMBL7422293 0.82 BRD4 (0.50) MAOASIRT2SIRT1FAAHCHRM3
SCHEMBL7417103 0.80 FNTA (0.57) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7420186 0.80 FNTA (0.55) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7423027 0.78 FNTA (0.53) MAOAKDM1AMAOBFNTAFNTB
SCHEMBL7421298 0.78 FNTA (0.53) MAOAKDM1AMAOBFNTAFNTB
SCHEMBL7428975 0.78 FNTA (0.53) MAOAKDM1AMAOBFNTAFNTB
SCHEMBL7418605 0.78 FNTA (0.53) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7427087 0.77 SIRT2 (0.53) SIRT2SIRT1FAAHCHRM3ALDH1A1
SCHEMBL7420603 0.77 KCNH2 (0.53) 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