SCHEMBL750077

SCHEMBL750077

C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3ccc(F)c4scnc34)C[C@@H]2N1C(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.54

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
SCHEMBL10291358 0.93 CYP3A4 (0.54) CYP3A4
SCHEMBL13028989 0.93 TCF4 (0.50) CYP3A4
SCHEMBL762340 0.91 CYP3A4 (0.52) CYP3A4
SCHEMBL748252 0.90 CYP3A4 (0.61) CYP3A4
SCHEMBL10291463 0.90 CYP3A4 (0.55) CYP3A4
SCHEMBL763409 0.90 CYP3A4 (0.57) CYP3A4
SCHEMBL10292443 0.89 CYP3A4 (0.53) CYP3A4
SCHEMBL13354137 0.89 CYP3A4 (0.53) CYP3A4
SCHEMBL763330 0.89 CYP3A4 (0.52) CYP3A4
SCHEMBL763224 0.89 CYP3A4 (0.56) 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 6 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-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-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