SCHEMBL749965

SCHEMBL749965

C=CCN1CC(=O)N2[C@@H](Cc3ccccc3)C(=O)N(Cc3ccc(Cl)c(N4CCOCC4)c3)C[C@@H]2N1C(=O)NCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.60

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
SCHEMBL748150 0.97 CYP3A4 (0.64) CYP3A4
SCHEMBL12154846 0.91 CYP3A4 (0.66) CYP3A4
SCHEMBL748149 0.90 CYP3A4 (0.66) CYP3A4
SCHEMBL747083 0.88 CYP3A4 (0.53) CYP3A4
SCHEMBL748199 0.88 CYP3A4 (0.64) CYP3A4
SCHEMBL749428 0.87 CYP3A4 (0.68) CYP3A4
SCHEMBL748246 0.85 CYP3A4 (0.63) CYP3A4
SCHEMBL748213 0.84 CYP3A4 (0.70) CYP3A4
SCHEMBL13763689 0.84 CYP3A4 (0.70) CYP3A4
SCHEMBL2897846 0.84 CYP3A4 (0.74) 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