SCHEMBL485703

SCHEMBL485703

O=C(NC1CCC1)c1cc(F)c2ccccc2c1OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.50
CXCR2 P25025 2/20 0.49
SLC6A5 Q9Y345 7/20 0.48
DRD4 P21917 1/20 0.48
CNR2 P34972 5/20 0.48
CNR1 P21554 4/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
SGMS2 Q8NHU3 1/20 0.46

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
Formic Acid SCHEMBL27712981 0.97 MRGPRX4 (0.48) MRGPRX4CXCR2SLC6A5DRD4CNR2
SCHEMBL486088 0.89 MRGPRX4 (0.56) MRGPRX4CXCR2SLC6A5DRD4CNR2
SCHEMBL485710 0.87 MRGPRX4 (0.56) MRGPRX4CXCR2SLC6A5DRD4CNR2
SCHEMBL485784 0.87 CXCR2 (0.44) MRGPRX4CXCR2CNR2CNR1MEN1
SCHEMBL485799 0.87 MRGPRX4 (0.45) MRGPRX4
Formic Acid SCHEMBL27693269 0.87 MRGPRX4 (0.54) MRGPRX4CXCR2SLC6A5DRD4CNR2
SCHEMBL485699 0.86 CXCR2 (0.62) MRGPRX4CXCR2SLC6A5DRD4CNR2
SCHEMBL485687 0.85 MRGPRX4 (0.45) MRGPRX4CNR2CNR1
Formic Acid SCHEMBL27713047 0.85 CXCR2 (0.58) MRGPRX4CXCR2SLC6A5DRD4CNR2
Formic Acid SCHEMBL27693250 0.85 MRGPRX4 (0.43) MRGPRX4

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