SCHEMBL762603

SCHEMBL762603

C=CCN1CC(=O)N2[C@@H](Cc3ccc(OP(=O)(O)O)cc3)C(=O)N(Cc3cccc4c3cnn4C)C[C@@H]2N1C(=O)NCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TCF4 P15884 1/20 0.64
CTNNB1 P35222 1/20 0.64
CYP3A4 P08684 19/20 0.62

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
SCHEMBL748425 0.92 CYP3A4 (0.70) CYP3A4
SCHEMBL3626298 0.92 CYP3A4 (0.70) CYP3A4
SCHEMBL12155137 0.87 TCF4 (0.66) TCF4CTNNB1CYP3A4
SCHEMBL748181 0.87 TCF4 (0.68) TCF4CTNNB1CYP3A4
SCHEMBL13029335 0.87 TCF4 (0.68) TCF4CTNNB1CYP3A4
SCHEMBL10291475 0.86 TCF4 (0.65) TCF4CTNNB1CYP3A4
SCHEMBL632182 0.85 CYP3A4 (0.78) CYP3A4
SCHEMBL15837019 0.85 CYP3A4 (0.78) CYP3A4
SCHEMBL3629723 0.85 TCF4 (0.64) TCF4CTNNB1CYP3A4
SCHEMBL13447703 0.85 TCF4 (0.66) TCF4CTNNB1CYP3A4

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
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