SCHEMBL16623174

SCHEMBL16623174

C=CCN1CC(=O)N2[C@@H](C)C(=O)N(Cc3cccc(Cl)c3N(C)C)C[C@@H]2N1C(=O)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.56

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
SCHEMBL763707 0.88 CYP3A4 (0.72) CYP3A4
SCHEMBL16623260 0.82 CYP3A4 (0.57) CYP3A4
SCHEMBL16623145 0.82 CYP3A4 (0.52) CYP3A4
SCHEMBL15906408 0.81 CYP3A4 (0.53) CYP3A4
SCHEMBL18411175 0.81 CYP3A4 (0.51) CYP3A4
SCHEMBL16623163 0.81 CYP3A4 (0.54) CYP3A4
SCHEMBL18411200 0.80 CYP3A4 (0.55) CYP3A4
SCHEMBL16623195 0.80 CYP3A4 (0.52) CYP3A4
SCHEMBL18411145 0.80 CYP3A4 (0.55) CYP3A4
SCHEMBL16623303 0.80 CYP3A4 (0.51) 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