SCHEMBL748952

SCHEMBL748952

C=CCN1CC(=O)N2[C@@H](Cc3ccc(ON)cc3)C(=O)N(Cc3ccc(F)cc3F)C[C@@H]2N1C(=O)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TCF4 P15884 1/20 0.59
CTNNB1 P35222 1/20 0.59
CYP3A4 P08684 19/20 0.57

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
SCHEMBL747512 0.94 TCF4 (0.59) TCF4CTNNB1CYP3A4
SCHEMBL748365 0.93 TCF4 (0.63) TCF4CTNNB1CYP3A4
SCHEMBL748931 0.93 CYP3A4 (0.59) TCF4CTNNB1CYP3A4
SCHEMBL762478 0.93 TCF4 (0.57) TCF4CTNNB1CYP3A4
SCHEMBL748397 0.93 CYP3A4 (0.66) CYP3A4
SCHEMBL748794 0.93 CYP3A4 (0.66) CYP3A4
SCHEMBL13745266 0.93 CYP3A4 (0.66) CYP3A4
SCHEMBL2875135 0.93 CYP3A4 (0.66) CYP3A4
SCHEMBL12156642 0.93 CYP3A4 (0.66) CYP3A4
SCHEMBL747910 0.93 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 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