SCHEMBL7424685

SCHEMBL7424685

CN[C@H]1CCN(Cc2cccc(C#N)c2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.49
FNTB P49356 6/20 0.49
PGGT1B P53609 6/20 0.49
KCNH2 Q12809 3/20 0.49
CYP3A4 P08684 1/20 0.49
BRD4 O60885 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
DRD4 P21917 2/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
FAAH O00519 1/20 0.42
DRD3 P35462 2/20 0.42
CHRM3 P20309 1/20 0.42
DRD2 P14416 1/20 0.42
F10 P00742 1/20 0.42
NR3C1 P04150 1/20 0.41
HSD11B1 P28845 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
SCHEMBL8425359 0.86 F10 (0.54) F10
SCHEMBL7424679 0.85 FNTA (0.59) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL12009728 0.84 SIRT2 (0.46) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7420186 0.83 FNTA (0.55) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7428975 0.83 FNTA (0.53) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8427867 0.83 FNTA (0.44) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8425641 0.83 F10 (0.58) F10
SCHEMBL8425655 0.82 F10 (0.46) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8425668 0.81 FNTA (0.41) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8423785 0.81 F10 (0.59) F10

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
US-6034093-A Substituted sulfonic acid N-[(aminoiminomethyl)phenylalkyl]-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 2000-03-07 US 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