SCHEMBL30452359

SCHEMBL30452359

COc1ccc(COc2c(C#N)ncc(-c3ccc4nc(C)ccc4c3)c2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
NQO1 P15559 1/20 0.38
CSF1R P07333 2/20 0.37
MAOB P27338 1/20 0.37
GRM2 Q14416 1/20 0.36
PDE10A Q9Y233 3/20 0.36
HPGDS O60760 1/20 0.36
PDE2A O00408 1/20 0.35

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
SCHEMBL24257690 1.00 CNR1 (0.39) CNR1NQO1CSF1RMAOBGRM2
SCHEMBL24257718 0.89 SMN1; SMN2 (0.39) CNR1PDE10A
SCHEMBL30452995 0.89 SMN1; SMN2 (0.39) CNR1PDE10A
SCHEMBL30453400 0.88 NPC1 (0.41) CNR1CSF1R
SCHEMBL24257586 0.88 NPC1 (0.41) CNR1CSF1R
SCHEMBL24257729 0.85 CYP11B1 (0.43) CNR1GRM2PDE2A
SCHEMBL30453284 0.85 CYP11B1 (0.43) CNR1GRM2PDE2A
SCHEMBL30546865 0.82 MAOB (0.43) MAOBGRM2PDE10A
Nitrous Acid SCHEMBL29248892 0.80 MAOB (0.41) MAOBGRM2PDE10A
SCHEMBL24257819 0.79 HSD17B10 (0.43) CNR1MAOB

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
EP-4196466-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Akebia Therapeutics Inc. (US) 2023-06-21 EP disclosed