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Sugi Predict / Compounds / SCHEMBL16498302

SCHEMBL16498302

SCHEMBL16498302

CC(C)C[C@H](CC(=O)O)C(=O)N(c1nc(-c2ccccc2-c2cnc(N(C)C)cn2)cs1)C1CC1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 11/20 0.70
▸ SLC12A5 Q9H2X9 4/20 0.37
▸ CYP1A2 P05177 1/20 0.33
▸ TYR P14679 1/20 0.31
▸ CAPN1 P07384 1/20 0.31
▸ UCHL1 P09936 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.31

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
SCHEMBL16498305 1.00 FFAR2 (0.70) FFAR2SLC12A5CYP1A2TYRCAPN1
SCHEMBL16498084 0.89 FFAR2 (0.71) FFAR2SLC12A5CYP1A2TYRUCHL1
SCHEMBL16498080 0.89 FFAR2 (0.71) FFAR2SLC12A5CYP1A2TYRUCHL1
SCHEMBL16498076 0.88 FFAR2 (0.84) FFAR2SLC12A5CYP1A2UCHL1USP30
SCHEMBL16498079 0.88 FFAR2 (0.84) FFAR2SLC12A5CYP1A2UCHL1USP30
SCHEMBL16498073 0.83 FFAR2 (0.64) FFAR2SLC12A5UCHL1USP30
SCHEMBL16498075 0.83 FFAR2 (0.64) FFAR2SLC12A5UCHL1USP30
SCHEMBL16498082 0.82 FFAR2 (1.00) FFAR2SLC12A5CYP1A2
SCHEMBL16498086 0.82 FFAR2 (1.00) FFAR2SLC12A5CYP1A2
SCHEMBL16498367 0.82 FFAR2 (0.65) FFAR2SLC12A5CYP1A2

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
WO-2011151434-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-12-08 — — WO claimed