SCHEMBL2875902

SCHEMBL2875902

C=CCN1CC(=O)N2C(Cc3ccc(O)cc3)C(=O)N(Cc3cccc(C#N)c3)CC2N1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.59

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
SCHEMBL762862 0.91 CYP3A4 (0.71) CYP3A4
SCHEMBL2900155 0.91 CYP3A4 (0.71) CYP3A4
SCHEMBL763406 0.88 CYP3A4 (0.70) CYP3A4
SCHEMBL2897682 0.88 CYP3A4 (0.70) CYP3A4
SCHEMBL2875636 0.85 CYP3A4 (0.61) CYP3A4
SCHEMBL16613042 0.84 CYP3A4 (0.57) CYP3A4
SCHEMBL2894450 0.81 CYP3A4 (0.67) CYP3A4
SCHEMBL763309 0.81 CYP3A4 (0.67) CYP3A4
SCHEMBL763343 0.81 CYP3A4 (0.64) CYP3A4
SCHEMBL10291435 0.80 CYP3A4 (0.67) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212330-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (3) Choongwae Pharma Corporation (KR) 2010-08-04 EP disclosed
WO-2009051397-A9 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (3) CHOONGWAE PHARMA CORPORATION (KR) 2010-05-27 WO disclosed
WO-2009051397-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (3) CHOONGWAE PHARMA CORPORATION (KR) 2009-04-23 WO disclosed