SCHEMBL2882849

SCHEMBL2882849

C=CCN1CC(=O)N2C(Cc3ccc(O)cc3)C(=O)N(Cc3cccc(-c4ccc(SC)cc4)n3)C[C@@H]2N1C(=O)NCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.64

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
SCHEMBL13412776 1.00 CYP3A4 (0.64) CYP3A4
SCHEMBL2900415 1.00 CYP3A4 (0.64) CYP3A4
SCHEMBL10292063 1.00 CYP3A4 (0.64) CYP3A4
SCHEMBL2877779 0.95 CYP3A4 (0.65) CYP3A4
SCHEMBL10292060 0.95 CYP3A4 (0.65) CYP3A4
SCHEMBL13029162 0.95 CYP3A4 (0.65) CYP3A4
SCHEMBL748638 0.94 CYP3A4 (0.65) CYP3A4
SCHEMBL2898046 0.94 CYP3A4 (0.65) CYP3A4
SCHEMBL10291484 0.92 CYP3A4 (0.62) CYP3A4
SCHEMBL13029149 0.92 CYP3A4 (0.62) 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-2212330-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (3) Choongwae Pharma Corporation (KR) 2010-08-04 EP disclosed
WO-2009051397-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (3) CHOONGWAE PHARMA CORPORATION (KR) 2009-04-23 WO disclosed