SCHEMBL747195

SCHEMBL747195

C=CCN1CC(=O)N2[C@@H](C(C)C)C(=O)N(Cc3ccc(F)cc3F)C[C@@H]2N1C(=O)NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.50

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
SCHEMBL751037 0.91 CYP3A4 (0.53) CYP3A4
SCHEMBL749489 0.90 CLPP (0.44) CYP3A4
SCHEMBL748803 0.89 CLPP (0.47) CYP3A4
SCHEMBL751041 0.88 CYP3A4 (0.53) CYP3A4
SCHEMBL751043 0.87 CYP3A4 (0.52) CYP3A4
SCHEMBL13028780 0.86 CYP3A4 (0.59) CYP3A4
SCHEMBL10291508 0.86 CYP3A4 (0.53) CYP3A4
SCHEMBL12156642 0.86 CYP3A4 (0.66) CYP3A4
SCHEMBL747910 0.86 CYP3A4 (0.66) CYP3A4
SCHEMBL748397 0.86 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138337-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-03-20 US disclosed
US-8049008-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2011-11-01 US disclosed
US-8049008-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2011-11-01 US disclosed
US-7932384-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2011-04-26 US disclosed
US-7671054-B1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2010-03-02 US disclosed
US-7671054-B1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2010-03-02 US disclosed
US-7566711-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2009-07-28 US disclosed
US-7566711-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2009-07-28 US disclosed