SCHEMBL6418496

SCHEMBL6418496

[CH](Cn1ccnn1)Cn1ncnn1

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.37

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
SCHEMBL7544469 0.68 CYP19A1 (0.37) CYP19A1
SCHEMBL236181 0.66
SCHEMBL13219770 0.66
SCHEMBL14313864 0.63
SCHEMBL10766195 0.63
SCHEMBL3300024 0.63
SCHEMBL25655933 0.62
SCHEMBL14660499 0.62 CYP19A1 (0.37) CYP19A1
Hydrogen Sulfide SCHEMBL28800548 0.62 CYP19A1 (0.37) CYP19A1
SCHEMBL11361006 0.61 CYP19A1 (0.48) CYP19A1

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
EP-1578423-A1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-28 EP disclosed
WO-2004052366-A1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-06-24 WO disclosed