SCHEMBL2331147

SCHEMBL2331147

CC(C)(C)OC(=O)N[C@H]1CCCCN(Cc2cccc(C#N)c2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.49
SRC P12931 4/20 0.44
APP P05067 7/20 0.43
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP7 P09237 1/20 0.43
MMP10 P09238 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
MMP14 P50281 1/20 0.43
ADAM17 P78536 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
KDM4D Q6B0I6 1/20 0.43

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
SCHEMBL2327098 0.97 NPY1R (0.45) NPY1RSRCAPPFNTAFNTB
SCHEMBL2332156 0.93 FNTA (0.46) NPY1RFNTAFNTBKDM4DPGGT1B
SCHEMBL2329293 0.88 SIRT2 (0.45) NPY1RFNTAFNTBKDM4DPGGT1B
SCHEMBL4196013 0.86 NPY1R (0.51) NPY1RSRCAPPMMP1MMP2
SCHEMBL13904759 0.86 NPY1R (0.51) NPY1RSRCAPPMMP1MMP2
SCHEMBL12527914 0.85 KMT2A (0.55) NPY1RSRCAPPMMP1MMP2
SCHEMBL12527916 0.84 KMT2A (0.54) NPY1RSRCAPPMMP1MMP2
SCHEMBL4193840 0.83 NPY1R (0.60) NPY1RAPPMMP1MMP2MMP7
SCHEMBL2329420 0.81 FNTA (0.49) SRCFNTAFNTBKDM4DPGGT1B
SCHEMBL2325330 0.81 NPY1R (0.45) NPY1RKDM4DHSD11B1DRD2KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853618-B1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL -AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2011-08-17 EP disclosed
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-5958918-A Substituted (sulfinic acid, sulfonic acid, sulfonylamino or sulfinylamino) N- (aminominomethyl)phenylalkyl!-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. 1999-09-28 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
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