Sugi Predict

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SCHEMBL6261850

SCHEMBL6261850

O=C(NC1CCN(C2CCCC2CS(=O)(=O)c2ccccc2)C1=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 7/20 0.51
▸ KCNH2 Q12809 3/20 0.47
▸ CASP3 P42574 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CTSK P43235 1/20 0.43
▸ PREP P48147 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL4422761 0.84 CCR2 (0.46) CCR2KCNH2CASP3CTSK
SCHEMBL4417131 0.81 CASP3 (0.53) CASP3CASP1CTSKPREPALDH1A1
SCHEMBL5030646 0.80 CCR2 (0.42) CCR2KCNH2CASP3CTSKALDH1A1
SCHEMBL14313644 0.80 CASP3 (0.50) CASP3CASP1CTSKPREPALDH1A1
SCHEMBL4416820 0.80 CCR2 (0.47) CCR2KCNH2CTSK
SCHEMBL4416824 0.80 CCR2 (0.47) CCR2KCNH2CTSK
SCHEMBL14313605 0.79 CASP3 (0.50) CASP3CASP1CTSKPREPALDH1A1
SCHEMBL4413483 0.79 CCR2 (0.46) CCR2KCNH2CASP3CTSKALDH1A1
SCHEMBL4413487 0.79 CCR2 (0.46) CCR2KCNH2CASP3CTSKALDH1A1
SCHEMBL3739167 0.78 CCR2 (0.45) CCR2KCNH2CASP3CTSKPREP

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-2005079519-A2 SUBSTITUTED BICYCLOALKYLAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-01 — — WO disclosed