SCHEMBL2331612

SCHEMBL2331612

CC(C)(C)OC(=O)NC1CCN(Cc2ccc(C#N)s2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.42
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
FPR2 P25090 1/20 0.39
KCNA3 P22001 1/20 0.39
CTSK P43235 2/20 0.38
GPR119 Q8TDV5 1/20 0.37
KLK6 Q92876 1/20 0.37
GAA P10253 1/20 0.37
DRD2 P14416 1/20 0.36
KDM4D Q6B0I6 2/20 0.36
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRM5 P41594 1/20 0.35
SRC P12931 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
KCNH2 Q12809 1/20 0.35
JAK2 O60674 1/20 0.34

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
SCHEMBL2325196 0.81 F2 (0.40) F10F2PRSS1FPR2KCNA3
SCHEMBL8040094 0.81 F2 (0.38) F10F2PRSS1FPR2KCNA3
SCHEMBL2330001 0.81 F2 (0.38) F10F2PRSS1FPR2KCNA3
SCHEMBL7424006 0.81 F10 (0.38) F10F2KLK6GRM5FNTA
SCHEMBL2329420 0.81 FNTA (0.49) FPR2KCNA3GPR119DRD2KDM4D
SCHEMBL2326541 0.80 FPR2 (0.39) F10F2PRSS1FPR2KCNA3
SCHEMBL7422879 0.80 SRC (0.46) CTSKSRC
SCHEMBL13120850 0.79 L3MBTL1 (0.44) F10F2PRSS1FPR2CTSK
SCHEMBL30877523 0.78 CTSK (0.47) F10F2PRSS1FPR2KCNA3
SCHEMBL7540139 0.78 CTSK (0.47) F10F2PRSS1FPR2KCNA3

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-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
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