SCHEMBL18715212

SCHEMBL18715212

COCc1cc(OCC2CC2)c(OC)cn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
PDE4D Q08499 6/20 0.39
PDE4A P27815 4/20 0.39
PDE4B Q07343 11/20 0.38
TRPC6 Q9Y210 2/20 0.38
PDE4C Q08493 2/20 0.37
ERBB2 P04626 1/20 0.37
EPHA2 P29317 1/20 0.37
KDR P35968 1/20 0.37
EPHB4 P54760 1/20 0.37
DHFR P00374 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
SCHEMBL15757242 0.86 PDE4B (0.41) PDE4DPDE4APDE4BTRPC6PDE4C
SCHEMBL18708222 0.86 PDE4D (0.44) CNR2PDE4DPDE4APDE4BTRPC6
SCHEMBL3633786 0.77 TRPC6 (0.54) CNR2PDE4DPDE4APDE4BTRPC6
SCHEMBL88281 0.75 TRPC6 (0.49) CNR2PDE4DPDE4APDE4BTRPC6
SCHEMBL18708221 0.75 TRPC6 (0.49) CNR2PDE4DPDE4APDE4BTRPC6
SCHEMBL71158 0.74 TRPC6 (0.48) CNR2PDE4DPDE4APDE4BTRPC6
SCHEMBL19444453 0.73 CYP1A2 (0.33) DHFR
SCHEMBL20219434 0.73 PDE4A (0.35) PDE4DPDE4AERBB2EPHA2KDR
SCHEMBL7148906 0.71 PDE4B (0.42) PDE4DPDE4APDE4BTRPC6DHFR
SCHEMBL15669943 0.71 CNR2 (0.38) CNR2TRPC6DHFR

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
US-9611250-B2 Process for preparing 4-(cyclopropylmethoxy)-N-(3,5-dichloro-1-oxido-4-pyridyl)-5-methoxypyridine-2-carboxamide SANOFI (FR) 2017-04-04 US disclosed