SCHEMBL13876407

SCHEMBL13876407

C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4cnn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.72

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
SCHEMBL15899806 0.92 CYP3A4 (0.69) CYP3A4
SCHEMBL762973 0.92 CYP3A4 (0.69) CYP3A4
SCHEMBL751020 0.91 CYP3A4 (0.60) CYP3A4
SCHEMBL10227752 0.91 CYP3A4 (0.60) CYP3A4
SCHEMBL762986 0.90 CYP3A4 (0.66) CYP3A4
SCHEMBL3626298 0.90 CYP3A4 (0.70) CYP3A4
SCHEMBL748425 0.90 CYP3A4 (0.70) CYP3A4
SCHEMBL13165402 0.90 CYP3A4 (0.68) CYP3A4
SCHEMBL12222035 0.89 CYP3A4 (0.74) CYP3A4
SCHEMBL3655743 0.88 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212329-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORP (KR) 2014-07-30 EP disclosed
WO-2009051399-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORPORATION (KR) 2009-04-23 WO disclosed