SCHEMBL3633992

SCHEMBL3633992

O=C(NC1CCC1)C1CCCN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.47
PRCP P42785 2/20 0.46
DPP7 Q9UHL4 1/20 0.44
ARG1 P05089 1/20 0.44
ARG2 P78540 1/20 0.44
POLB P06746 1/20 0.42
DPP4 P27487 1/20 0.42
EPHX1 P07099 6/20 0.41
NOS2 P35228 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 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
SCHEMBL953074 1.00 SCN4A (0.47) SCN4APRCPDPP7ARG1ARG2
Hydrochloric Acid SCHEMBL3670580 0.98 SCN4A (0.49) SCN4APRCPDPP7ARG1ARG2
Hydrochloric Acid SCHEMBL3327729 0.98 SCN4A (0.49) SCN4APRCPDPP7ARG1ARG2
SCHEMBL17676964 0.96 SCN4A (0.47) SCN4APRCPDPP7ARG1ARG2
SCHEMBL3333289 0.96 SCN4A (0.47) SCN4APRCPDPP7ARG1ARG2
SCHEMBL3669478 0.96 SCN4A (0.47) SCN4APRCPDPP7ARG1ARG2
SCHEMBL9825084 0.94 EPHX1 (0.48) SCN4APRCPDPP7ARG1ARG2
SCHEMBL7265700 0.94 EPHX1 (0.48) SCN4APRCPDPP7ARG1ARG2
SCHEMBL17676973 0.94 EPHX1 (0.48) SCN4APRCPDPP7ARG1ARG2
SCHEMBL5157107 0.94 EPHX1 (0.48) SCN4APRCPDPP7ARG1ARG2

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-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 WO disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 WO disclosed