SCHEMBL16623178

SCHEMBL16623178

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

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.70

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
SCHEMBL13763689 0.96 CYP3A4 (0.70) CYP3A4
SCHEMBL748213 0.96 CYP3A4 (0.70) CYP3A4
SCHEMBL16623239 0.94 CYP3A4 (0.68) CYP3A4
SCHEMBL13744895 0.93 CYP3A4 (0.62) CYP3A4
SCHEMBL13184700 0.92 CYP3A4 (0.60) CYP3A4
SCHEMBL2892019 0.92 CYP3A4 (0.66) CYP3A4
SCHEMBL748838 0.92 CYP3A4 (0.73) CYP3A4
SCHEMBL750221 0.92 CYP3A4 (0.66) CYP3A4
SCHEMBL748940 0.91 CYP3A4 (0.65) CYP3A4
SCHEMBL748199 0.90 CYP3A4 (0.64) 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