SCHEMBL750925

SCHEMBL750925

CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4cnn(CCN5CCOCC5)c34)C[C@@H]2N1C(=O)NCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.65

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
SCHEMBL748072 0.94 CYP3A4 (0.62) CYP3A4
SCHEMBL14620242 0.91 CYP3A4 (0.64) CYP3A4
SCHEMBL762973 0.85 CYP3A4 (0.69) CYP3A4
SCHEMBL15899806 0.85 CYP3A4 (0.69) CYP3A4
SCHEMBL748674 0.84 CYP3A4 (0.60) CYP3A4
SCHEMBL749952 0.84 CYP3A4 (0.60) CYP3A4
SCHEMBL748136 0.83 CYP3A4 (0.60) CYP3A4
SCHEMBL762986 0.83 CYP3A4 (0.66) CYP3A4
SCHEMBL13876407 0.83 CYP3A4 (0.72) CYP3A4
SCHEMBL10227148 0.83 CYP3A4 (0.56) CYP3A4

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
US-8138337-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-03-20 US disclosed
US-8138337-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-03-20 US disclosed