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Sugi Predict / Compounds / SCHEMBL4058202

SCHEMBL4058202

SCHEMBL4058202

CC(C)(C)[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CNS(=O)(=O)c1cc(Cl)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 10/20 0.38
▸ IL2 P60568 10/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ CYP51A1 Q16850 1/20 0.34
▸ TNF P01375 1/20 0.34
▸ IDO1 P14902 1/20 0.33

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
SCHEMBL4056947 0.92 CCR1 (0.35) DPP4CYP51A1
SCHEMBL4057673 0.89 PYGL (0.39) CYP51A1
SCHEMBL4051117 0.88 ALOX15 (0.42) CYP51A1
SCHEMBL4052843 0.88 PYGL (0.41) CYP51A1
SCHEMBL7996364 0.87 ALB (0.36) ALBIL2DPP4CYP51A1TNF
SCHEMBL4057362 0.84 PYGL (0.39) CYP51A1
SCHEMBL4050168 0.83 DRD2 (0.36) CYP51A1
SCHEMBL1550427 0.82 ALOX15 (0.43) ALBIL2CYP51A1
SCHEMBL4052196 0.81 DRD4 (0.38) CYP51A1
SCHEMBL4051255 0.81 CCR1 (0.41) DPP4

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
WO-2009111680-A1 TRPV4 ANTAGONISTS SMITHLINE BEECHAM CORPORATION (US) 2009-09-11 — — WO claimed
WO-2009111680-A1 TRPV4 ANTAGONISTS SMITHLINE BEECHAM CORPORATION (US) 2009-09-11 — — WO disclosed