SCHEMBL11826939

SCHEMBL11826939

CSCCCc1ccc[nH]1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
GPR84 Q9NQS5 2/20 0.33
HRH3 Q9Y5N1 3/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL17264866 0.88
SCHEMBL7003873 0.80 GPR84 (0.41) MAOAGPR84HRH3DRD2DRD4
SCHEMBL8955030 0.78 GPR84 (0.44) MAOAGPR84HRH3DRD2DRD4
SCHEMBL1338045 0.77
SCHEMBL214012 0.75 GPR84 (0.56) GPR84HRH3
SCHEMBL7172295 0.75 MAOA (0.42) MAOADRD2DRD4DRD3
SCHEMBL3080711 0.74
SCHEMBL7575666 0.73 GPR84 (0.59) GPR84
SCHEMBL2111421 0.73 GPR84 (0.59) GPR84
SCHEMBL2402381 0.73 GPR84 (0.59) GPR84

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-3980089-A Novel heterocyclic flavoring compositions and processes INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-09-14 US disclosed