SCHEMBL4701417

SCHEMBL4701417

Nc1cccnc1N1CCC(OC(=O)O)(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
OPRD1 P41143 5/20 0.39
KCNH2 Q12809 1/20 0.39
MALT1 Q9UDY8 4/20 0.38
OPRM1 P35372 4/20 0.37
OPRL1 P41146 2/20 0.37
HSD11B1 P28845 2/20 0.36
KMT2A Q03164 1/20 0.36
OPRK1 P41145 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4699418 0.81 CYP1A2 (0.56) HSD11B1KMT2AALDH1A1CYP2C9MAPK1
SCHEMBL4524903 0.81 OPRD1 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3436016 0.75 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10278269 0.72 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4697505 0.72 MALT1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4699835 0.72 AKR1C1 (0.45) OPRD1OPRM1OPRL1HSD11B1KMT2A
Trifluoroacetic Acid SCHEMBL3070940 0.72 PTPN11 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3435676 0.71 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3078495 0.71 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22597907 0.71 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-1603895-B1 SUBSTITUTED BENZOYLUREIDOPYRIDYL-PIPERIDINE AND -PYRROLIDINE CARBOXYLIC ACID DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND THE USE THEREOF SANOFI AVENTIS DEUTSCHLAND (DE) 2008-02-20 EP disclosed
EP-1603895-A1 SUBSTITUTED BENZOYLUREIDOPYRIDYL-PIPERIDINE AND -PYRROLIDINE CARBOXYLIC ACID DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND THE USE THEREOF Sanofi-Aventis Deutschland GmbH (DE) 2005-12-14 EP disclosed
WO-2004078743-A1 SUBSTITUTED BENZOYLUREIDOPYRIDYL-PIPERIDINE AND -PYRROLIDINE CARBOXYLIC ACID DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND THE USE THEREOF AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-16 WO disclosed