SCHEMBL27693232

SCHEMBL27693232

O=COC1(NC(=O)c2ccc3ccccc3c2OCc2ccc(C(F)(F)F)cc2F)CCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.45
SLC6A9 P48067 4/20 0.38
FFAR1 O14842 1/20 0.37
P2RX1 P51575 1/20 0.37
P2RX3 P56373 1/20 0.37
P2RX4 Q99571 1/20 0.37
P2RX7 Q99572 1/20 0.37
SLC2A1 P11166 2/20 0.34
IDO1 P14902 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
DRD4 P21917 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
PTGER4 P35408 1/20 0.33
STK39 Q9UEW8 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
SCHEMBL27693240 0.92 CXCR2 (0.44) CXCR2SLC6A9P2RX1P2RX3P2RX4
SCHEMBL27693416 0.88 CXCR2 (0.38) CXCR2SLC6A9FFAR1MRGPRX4
SCHEMBL27693220 0.88 CXCR2 (0.46) CXCR2
SCHEMBL485485 0.87 CXCR2 (0.60) CXCR2SLC6A9FFAR1P2RX1P2RX3
SCHEMBL27713046 0.87 CXCR2 (0.57) CXCR2P2RX1P2RX3P2RX4P2RX7
SCHEMBL485136 0.85 CXCR2 (0.58) CXCR2SLC6A9FFAR1P2RX1P2RX3
Formic Acid SCHEMBL27693233 0.82 CXCR2 (0.44) CXCR2P2RX1P2RX3P2RX4P2RX7
SCHEMBL485567 0.81 CXCR2 (0.47) CXCR2P2RX1P2RX3P2RX4P2RX7
SCHEMBL485934 0.81 CXCR2 (0.47) CXCR2DRD4MRGPRX4
SCHEMBL27712958 0.80 CXCR2 (0.57) CXCR2RXFP1

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