SCHEMBL7415513

SCHEMBL7415513

N#Cc1cccc(CN2CC(N)CC2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
DPP4 P27487 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CHRM3 P20309 1/20 0.40
FAAH O00519 1/20 0.40
DPP7 Q9UHL4 1/20 0.39
TAS2R8 Q9NYW2 1/20 0.39
ADRA1D P25100 1/20 0.39
ALDH1A1 P00352 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
DRD4 P21917 1/20 0.39

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 SCHEMBL2332921 0.99 SIRT2 (0.50) SIRT2SIRT1ROCK2ROCK1DPP4
SCHEMBL7427087 0.81 SIRT2 (0.53) SIRT2SIRT1ROCK2ROCK1DPP4
SCHEMBL2814838 0.81 PRMT6 (0.46) DPP4HPGDTSHRALDH1A1
Hydrochloric Acid SCHEMBL2328868 0.80 SIRT2 (0.52) SIRT2SIRT1ROCK2ROCK1DPP4
Hydrochloric Acid SCHEMBL2328872 0.80 SIRT2 (0.52) SIRT2SIRT1ROCK2ROCK1DPP4
SCHEMBL11021735 0.78 HPGD (0.64) DPP4L3MBTL1HPGDTSHRALDH1A1
SCHEMBL27603657 0.78 HPGD (0.64) DPP4L3MBTL1HPGDTSHRALDH1A1
Hydrochloric Acid SCHEMBL6872103 0.77 HPGD (0.62) DPP4L3MBTL1HPGDTSHRALDH1A1
Hydrochloric Acid SCHEMBL5412784 0.77 HPGD (0.62) DPP4L3MBTL1HPGDTSHRALDH1A1
SCHEMBL24718391 0.76 KMT2A (0.53) ALDH1A1

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 5 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
CN-1190395-A Substituted (sulfonic, sulfinic, sulfonamido or sulfonamido) N- [ aminoiminomethyl) phenylalkyl ] -azaheterocyclic amide compounds RHONE POULENC RORER PHARMA (US) 1998-08-12 CN 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