SCHEMBL485687

SCHEMBL485687

O=C(NC1CCCC1)c1cc(F)c2ccccc2c1OCc1ccc(C(F)(F)F)cn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.45
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
HCRTR1 O43613 4/20 0.42
RAB9A P51151 1/20 0.41
FAAH O00519 3/20 0.41
SCN7A Q01118 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CETP P11597 2/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
HCRTR2 O43614 1/20 0.40

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
SCHEMBL485799 0.98 MRGPRX4 (0.45) MRGPRX4MAPTLMNAPOLBHCRTR1
Formic Acid SCHEMBL27693250 0.96 MRGPRX4 (0.43) MRGPRX4MAPTLMNAPOLBHCRTR1
SCHEMBL485826 0.90 MRGPRX4 (0.51) MRGPRX4MAPTLMNAPOLBHCRTR1
SCHEMBL485668 0.87 CXCR2 (0.47) MRGPRX4MAPTLMNAPOLBHCRTR1
SCHEMBL485703 0.85 MRGPRX4 (0.50) MRGPRX4CNR1CNR2
Formic Acid SCHEMBL27712981 0.83 MRGPRX4 (0.48) MRGPRX4CNR1CNR2
SCHEMBL485478 0.81 CXCR2 (0.56) HCRTR1RAB9AFAAHALOX5AP
SCHEMBL485695 0.81 CXCR2 (0.56) HCRTR1RAB9AALOX5APHCRTR2
SCHEMBL485706 0.81 CXCR2 (0.44) MRGPRX4LMNAPOLBALOX5APFEN1
SCHEMBL27693249 0.80 CXCR2 (0.43) MAPTPOLBHCRTR1ALOX5APHCRTR2

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