SCHEMBL27693261

SCHEMBL27693261

O=COC1(NC(=O)c2ccc3ccccc3c2OCc2ccccc2)CCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.51
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FAAH O00519 3/20 0.38
CNR2 P34972 3/20 0.38
CNR1 P21554 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SGMS2 Q8NHU3 2/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
MAOB P27338 1/20 0.37
GAA P10253 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL27693228 0.92 CXCR2 (0.46) CXCR2RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL27712958 0.92 CXCR2 (0.57) CXCR2RAB9AMAPTL3MBTL1CNR2
SCHEMBL27713046 0.89 CXCR2 (0.57) CXCR2MAPTSMN1; SMN2ALDH1A1MAOB
SCHEMBL27693224 0.89 CXCR2 (0.45) CXCR2RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL27693429 0.88 CXCR2 (0.49) CXCR2MAPTNPC1
SCHEMBL27693236 0.87 CXCR2 (0.53) CXCR2RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL27713037 0.85 CXCR2 (0.44) CXCR2RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL27693207 0.85 ALOX5AP (0.47) CXCR2
SCHEMBL485769 0.85 CXCR2 (0.68) CXCR2FAAHCNR2CNR1ALDH1A1
SCHEMBL28770785 0.85 CXCR2 (0.42) CXCR2MAPTSMN1; SMN2ALDH1A1GAA

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
CN-101094830-A Fused bicyclic carboxamide derivatives for use as CXCR2 inhibitors in the treatment of inflammation SANOFI AVENTIS DEUTSCHLAND (DE) 2007-12-26 CN claimed
CN-101094830-A Fused bicyclic carboxamide derivatives for use as CXCR2 inhibitors in the treatment of inflammation SANOFI AVENTIS DEUTSCHLAND (DE) 2007-12-26 CN disclosed