SCHEMBL4561902

SCHEMBL4561902

NC(=O)c1nocc1-n1ccnn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.37
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CHRNB2 P17787 1/20 0.31
CYP2B6 P20813 1/20 0.31
MAOA P21397 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHRNA4 P43681 1/20 0.31
HTR3A P46098 1/20 0.31

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
SCHEMBL18039131 0.72 HCRTR1 (0.44) NOTUMHCRTR1HCRTR2MAPK9MAPK10
SCHEMBL3687324 0.70 HCRTR1 (0.55) NOTUMHCRTR1HCRTR2CYP1A2CYP2C9
SCHEMBL3798467 0.69 HCRTR1 (0.36) NOTUMHCRTR1HCRTR2MAPK9MAPK10
SCHEMBL302446 0.68 HCRTR1 (0.46) NOTUMHCRTR1HCRTR2MAPK9MAPK10
SCHEMBL3348565 0.66
SCHEMBL979253 0.66 MAPK9 (0.38) NOTUMMAPK9MAPK10
SCHEMBL7848026 0.66 HCRTR1 (0.48) NOTUMHCRTR1HCRTR2MAPK9MAPK10
SCHEMBL29415179 0.66 DHODH (0.42) NOTUMHCRTR1HCRTR2MAPK9MAPK10
SCHEMBL29415057 0.66 NOTUM (0.38) NOTUMMAPK9MAPK10CYP1A2CYP2C9
SCHEMBL18939334 0.65 ACHE (0.39) NOTUM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009054790-A1 AMIDE LINKED HETEROAROMATIC DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO claimed