SCHEMBL2875935

SCHEMBL2875935

C=CCN1CC(=O)N2C(Cc3ccc(O)cc3)C(=O)N(Cc3cccc4ccn(S(=O)(=O)c5ccc(Cl)cc5)c34)C[C@@H]2N1C(=O)NCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.66

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
SCHEMBL2890703 1.00 CYP3A4 (0.66) CYP3A4
SCHEMBL10291470 1.00 CYP3A4 (0.66) CYP3A4
SCHEMBL763402 0.94 CYP3A4 (0.68) CYP3A4
SCHEMBL2899810 0.94 CYP3A4 (0.68) CYP3A4
SCHEMBL763541 0.93 TCF4 (0.59) CYP3A4
SCHEMBL16510506 0.92 CYP3A4 (0.57) CYP3A4
SCHEMBL763545 0.91 CYP3A4 (0.63) CYP3A4
SCHEMBL763200 0.90 CYP3A4 (0.62) CYP3A4
SCHEMBL762344 0.89 CYP3A4 (0.69) CYP3A4
SCHEMBL2894996 0.89 CYP3A4 (0.69) 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