SCHEMBL17778635

SCHEMBL17778635

Cc1cc(-c2nc3c(cc2Cl)N2CCC(C2)N3)ccn1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 14/20 0.38
▸ USP30 Q70CQ3 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PDE10A Q9Y233 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
SCHEMBL17768262 1.00 GRM2 (0.38) GRM2USP30MAPK1PDE10A
SCHEMBL17778610 0.94 GRM2 (0.37) GRM2USP30MAPK1PDE10A
SCHEMBL17768024 0.89 USP30 (0.37) GRM2USP30MAPK1PDE10A
SCHEMBL19706604 0.89 USP30 (0.37) GRM2USP30MAPK1PDE10A
SCHEMBL17767933 0.87 USP30 (0.36) GRM2USP30MAPK1PDE10A
SCHEMBL17778721 0.86 PDE10A (0.34) MAPK1PDE10A
SCHEMBL17768284 0.84 RPS6KB1 (0.36) —
SCHEMBL17778513 0.84 RPS6KB1 (0.36) —
SCHEMBL17778700 0.84 MAPK1 (0.35) GRM2USP30MAPK1PDE10A
SCHEMBL17769292 0.83 MAPK1 (0.37) GRM2USP30MAPK1PDE10A

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-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
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