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SCHEMBL13758166

SCHEMBL13758166

CCCN1CC(=O)N2[C@H](Cc3ccc(NC=O)cc3)C(=O)N(Cc3ccc(F)cc3F)C[C@@H]2N1C(=O)NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 20/20 0.52

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
SCHEMBL748155 1.00 CYP3A4 (0.52) CYP3A4
SCHEMBL748785 0.92 CYP3A4 (0.58) CYP3A4
SCHEMBL747120 0.91 CYP3A4 (0.57) CYP3A4
SCHEMBL747168 0.91 CYP3A4 (0.51) CYP3A4
SCHEMBL747170 0.91 CYP3A4 (0.52) CYP3A4
SCHEMBL13184860 0.88 CYP3A4 (0.52) CYP3A4
SCHEMBL14629400 0.85 CYP3A4 (0.53) CYP3A4
SCHEMBL14629232 0.85 CLPP (0.51) CYP3A4
SCHEMBL747342 0.85 CLPP (0.51) CYP3A4
SCHEMBL16524039 0.85 CYP3A4 (0.60) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576084-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2009-08-18 — — US disclosed
US-7576084-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2009-08-18 — — US disclosed
US-7566711-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2009-07-28 — — US disclosed
US-7566711-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2009-07-28 — — US disclosed