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Sugi Predict / Compounds / SCHEMBL16623156

SCHEMBL16623156

SCHEMBL16623156

C=CCN1CC(=O)N2[C@@H](Cc3ccc(OP(=O)(O)O)cc3)C(=O)N(Cc3cccc4c(-c5ccccc5)cn([S@+]([O-])c5ccccc5)c34)C[C@@H]2N1C(=O)NCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 19/20 0.65
▸ TCF4 P15884 1/20 0.61
▸ CTNNB1 P35222 1/20 0.61

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
SCHEMBL10291487 0.88 CYP3A4 (0.68) CYP3A4
SCHEMBL13116762 0.86 CYP3A4 (0.80) CYP3A4
SCHEMBL13116680 0.86 CYP3A4 (0.80) CYP3A4
SCHEMBL750389 0.86 TCF4 (0.64) CYP3A4TCF4CTNNB1
SCHEMBL763279 0.85 TCF4 (0.64) CYP3A4TCF4CTNNB1
SCHEMBL748181 0.84 TCF4 (0.68) CYP3A4TCF4CTNNB1
SCHEMBL632182 0.84 CYP3A4 (0.78) CYP3A4
SCHEMBL15837019 0.84 CYP3A4 (0.78) CYP3A4
SCHEMBL13029335 0.84 TCF4 (0.68) CYP3A4TCF4CTNNB1
SCHEMBL13116755 0.83 CYP3A4 (0.78) 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
EP-2212330-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (3) CHOONGWAE PHARMA CORP (KR) 2015-04-08 — — EP disclosed