SCHEMBL16623307

SCHEMBL16623307

C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc(C=O)c3)C[C@@H]2N1NCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.51

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
SCHEMBL16623142 0.86 CYP3A4 (0.53) CYP3A4
SCHEMBL16623199 0.86 CYP3A4 (0.54) CYP3A4
SCHEMBL16623293 0.86 CYP3A4 (0.52) CYP3A4
SCHEMBL16623200 0.85 CYP3A4 (0.52) CYP3A4
SCHEMBL16623196 0.82 CYP3A4 (0.49) CYP3A4
SCHEMBL15906426 0.80 CYP3A4 (0.55) CYP3A4
SCHEMBL10291435 0.79 CYP3A4 (0.67) CYP3A4
SCHEMBL13763689 0.78 CYP3A4 (0.70) CYP3A4
SCHEMBL748213 0.78 CYP3A4 (0.70) CYP3A4
SCHEMBL2891219 0.78 CYP3A4 (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212330-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (3) CHOONGWAE PHARMA CORP (KR) 2015-04-08 EP disclosed