SCHEMBL8445461

SCHEMBL8445461

Cn1nnc2ccc(N(c3ccc(C#N)cc3)n3cnnc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 20/20 0.40

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
SCHEMBL8443364 0.78 CYP19A1 (0.53) CYP19A1
SCHEMBL4245748 0.77 SLC9A1 (0.48) CYP19A1
SCHEMBL5990970 0.76 CYP19A1 (0.40) CYP19A1
SCHEMBL5991686 0.73 CYP19A1 (0.52) CYP19A1
SCHEMBL19915948 0.68 HCAR3 (0.50)
SCHEMBL8446297 0.66 CYP19A1 (0.50) CYP19A1
SCHEMBL8445502 0.66 CYP19A1 (0.46) CYP19A1
SCHEMBL9025832 0.66 CYP19A1 (0.66) CYP19A1
SCHEMBL8446288 0.65 CYP19A1 (0.44) CYP19A1
SCHEMBL31473704 0.65 SLC9A1 (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-0641785-B1 TRIAZOLYLATED TERTIARY AMINE COMPOUND OR SALT THEREOF YAMANOUCHI PHARMA CO LTD (JP) 1999-10-27 EP disclosed
EP-0641785-A1 TRIAZOLYLATED TERTIARY AMINE COMPOUND OR SALT THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1995-03-08 EP disclosed