SCHEMBL485399

SCHEMBL485399

O=C(NC1CCC1)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.47
DRD4 P21917 4/20 0.47
MRGPRX4 Q96LA9 3/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
CRHR1 P34998 4/20 0.40
P2RX1 P51575 1/20 0.39
P2RX3 P56373 1/20 0.39
P2RX4 Q99571 1/20 0.39
P2RX7 Q99572 1/20 0.39
EPHX1 P07099 1/20 0.39
SCN7A Q01118 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
NR1I2 O75469 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
Bicarbonate SCHEMBL485911 0.98 CXCR2 (0.47) CXCR2DRD4MRGPRX4MAPTLMNA
Formic Acid SCHEMBL27693241 0.96 CXCR2 (0.44) CXCR2DRD4MRGPRX4MAPTLMNA
SCHEMBL485567 0.91 CXCR2 (0.47) CXCR2DRD4MRGPRX4MAPTLMNA
SCHEMBL485934 0.89 CXCR2 (0.47) CXCR2DRD4MRGPRX4MAPTLMNA
Formic Acid SCHEMBL27693233 0.88 CXCR2 (0.44) CXCR2DRD4MRGPRX4MAPTLMNA
SCHEMBL485699 0.85 CXCR2 (0.62) CXCR2DRD4MRGPRX4ALDH1A1CNR1
Formic Acid SCHEMBL27693450 0.85 MRGPRX4 (0.49) DRD4MRGPRX4MAPTLMNAPOLB
SCHEMBL485511 0.84 CXCR2 (0.62) CXCR2DRD4MRGPRX4ALDH1A1CNR1
Formic Acid SCHEMBL27713047 0.82 CXCR2 (0.58) CXCR2DRD4MRGPRX4ALDH1A1CNR1
SCHEMBL484929 0.82 CXCR2 (0.58) CXCR2P2RX1P2RX3P2RX4P2RX7

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
EP-1836158-B1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION SANOFI AVENTIS DEUTSCHLAND (DE) 2012-02-01 EP claimed