SCHEMBL7419587

SCHEMBL7419587

N#Cc1cccc(CN2CC[CH]C2C(N)=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
HSD11B1 P28845 1/20 0.46
FAAH O00519 1/20 0.45
ADRA1D P25100 1/20 0.44
EPHX1 P07099 1/20 0.43
DPP7 Q9UHL4 3/20 0.43
DPP4 P27487 2/20 0.43
FAP Q12884 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
KCNH2 Q12809 1/20 0.41
CCR3 P51677 1/20 0.41
JAK2 O60674 2/20 0.40
JAK3 P52333 1/20 0.40
CCR2 P41597 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL1034082 0.80 SPHK1 (0.43) SIRT1
SCHEMBL14738426 0.80 SPHK1 (0.43) SIRT1
SCHEMBL6411650 0.78 SIRT2 (0.51) SIRT2SIRT1FAAHADRA1D
SCHEMBL7415511 0.77 SIRT2 (0.50) SIRT2SIRT1HSD11B1FAAHADRA1D
SCHEMBL8047101 0.73 KDM4E (0.50) SIRT2SIRT1
SCHEMBL15007429 0.72 SPHK1 (0.46) SIRT1
SCHEMBL7419118 0.72 SIRT2 (0.55) SIRT2SIRT1HSD11B1FAAHADRA1D
SCHEMBL8833260 0.72 SIRT2 (0.55) SIRT2SIRT1HSD11B1FAAHADRA1D
SCHEMBL7426687 0.72 SIRT2 (0.55) SIRT2SIRT1HSD11B1FAAHADRA1D
SCHEMBL6865185 0.72 FAAH (0.60) SIRT2SIRT1FAAHADRA1DCCR3

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
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