SCHEMBL16623249

SCHEMBL16623249

C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3ccnc(C(N)=O)c3)C[C@@H]2N1O

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.45

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
SCHEMBL13028786 0.85 CYP3A4 (0.63) CYP3A4
SCHEMBL13354185 0.85 CYP3A4 (0.63) CYP3A4
SCHEMBL16623296 0.80 CYP3A4 (0.51) CYP3A4
SCHEMBL13354209 0.76 CYP3A4 (0.49) CYP3A4
SCHEMBL16623202 0.75 CYP3A4 (0.49) CYP3A4
SCHEMBL2899926 0.73 CYP3A4 (0.68) CYP3A4
SCHEMBL10292458 0.73 CYP3A4 (0.68) CYP3A4
SCHEMBL16623307 0.72 CYP3A4 (0.51) CYP3A4
SCHEMBL2875829 0.72 CYP3A4 (0.65) CYP3A4
SCHEMBL13354218 0.72 CYP3A4 (0.65) 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