Sugi Predict

Sugi Predict / Compounds / SCHEMBL762652

SCHEMBL762652

SCHEMBL762652

C=CCN1CC(=O)N2[C@@H](Cc3ccc(OP(=O)(O)O)cc3)C(=O)N(Cc3cccc4ccn(S(=O)(=O)c5ccc(C)cc5)c34)C[C@@H]2N1C(=O)NCc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TCF4 P15884 1/20 0.53
▸ CTNNB1 P35222 1/20 0.53
▸ CYP3A4 P08684 19/20 0.52

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
SCHEMBL762886 0.93 CYP3A4 (0.58) CYP3A4
SCHEMBL10291465 0.93 TCF4 (0.59) TCF4CTNNB1CYP3A4
SCHEMBL763541 0.87 TCF4 (0.59) TCF4CTNNB1CYP3A4
SCHEMBL763545 0.87 CYP3A4 (0.63) CYP3A4
SCHEMBL2899810 0.85 CYP3A4 (0.68) CYP3A4
SCHEMBL763402 0.85 CYP3A4 (0.68) CYP3A4
SCHEMBL763602 0.84 CYP3A4 (0.65) CYP3A4
SCHEMBL763200 0.83 CYP3A4 (0.62) CYP3A4
SCHEMBL763218 0.83 TCF4 (0.57) TCF4CTNNB1CYP3A4
SCHEMBL13412755 0.82 CYP3A4 (0.58) 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 1 patent. 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