SCHEMBL7416692

SCHEMBL7416692

CN[C@H]1CCN(Cc2cc(C#N)cs2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.37
F2 P00734 2/20 0.37
FNTA P49354 12/20 0.36
FNTB P49356 12/20 0.36
PGGT1B P53609 11/20 0.36
KCNH2 Q12809 2/20 0.36
CYP3A4 P08684 2/20 0.35
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
KLK6 Q92876 1/20 0.31
PLAT P00750 1/20 0.30
ADAMTS5 Q9UNA0 1/20 0.30
CYP1A2 P05177 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
DRD2 P14416 1/20 0.30

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
SCHEMBL7424915 0.81 DPP4 (0.33) F10F2FNTAFNTBPGGT1B
SCHEMBL7420001 0.81 DPP4 (0.33) F10F2FNTAFNTBPGGT1B
SCHEMBL27493929 0.81 FNTA (0.31) FNTAFNTBPGGT1BKCNH2KDM4E
SCHEMBL2325196 0.81 F2 (0.40) F10F2FNTAFNTBPGGT1B
SCHEMBL8423934 0.81 F10 (0.59) F10F2KLK6PLAT
Hydrochloric Acid SCHEMBL2325384 0.80 DPP4 (0.32) F10F2CYP3A4KDM4EALDH1A1
SCHEMBL7417120 0.79 KCNH2 (0.34) F10F2FNTAFNTBPGGT1B
SCHEMBL7423307 0.78 F10 (0.39) F10F2FNTAFNTBPGGT1B
SCHEMBL7416690 0.77 SIRT2 (0.34) F10F2ALDH1A1PLAT
SCHEMBL7424006 0.77 F10 (0.38) F10F2FNTAFNTBPGGT1B

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