SCHEMBL4557249

SCHEMBL4557249

O=C1OC2(CCN(c3ccc(C#Cc4cccc(O)c4)nn3)CC2)CN1c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.45
TRPV4 Q9HBA0 2/20 0.37
ADRA1A P35348 2/20 0.36
NPY5R Q15761 2/20 0.36
KCNH2 Q12809 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
SCHEMBL13930468 0.80 DRD2 (0.41) GRM5
SCHEMBL13930056 0.78 GRM5 (0.38) GRM5
SCHEMBL13930599 0.76 GRM5 (0.37) GRM5
SCHEMBL14206772 0.72 GRM5 (0.43) GRM5
SCHEMBL3832517 0.71 POLB (0.44) GRM5
SCHEMBL3832527 0.70 SCD (0.42)
SCHEMBL3826339 0.70 SCD (0.41)
SCHEMBL13930469 0.68 DRD2 (0.38) GRM5
SCHEMBL14130918 0.67 GRM5 (0.40) GRM5
SCHEMBL13930607 0.66 GRM5 (0.36) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009037542-A2 SPIROCYCLIC COMPOUNDS AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-03-26 WO claimed
WO-2009037542-A2 SPIROCYCLIC COMPOUNDS AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-03-26 WO disclosed