SCHEMBL485455

SCHEMBL485455

O=C(NC1CCC1)c1ccc2ccccc2c1OCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.49
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
CNR2 P34972 6/20 0.46
CNR1 P21554 5/20 0.46
MAOB P27338 1/20 0.46
SGMS2 Q8NHU3 1/20 0.46
DRD4 P21917 2/20 0.43
TRPV1 Q8NER1 2/20 0.43
CHRM1 P11229 1/20 0.43
EPHX1 P07099 1/20 0.43
EPHX2 P34913 1/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL485551 0.98 ALDH1A1 (0.49) CXCR2MEN1ALDH1A1KMT2ACNR2
Formic Acid SCHEMBL27693432 0.96 CXCR2 (0.46) CXCR2MEN1ALDH1A1KMT2ACNR2
SCHEMBL485699 0.88 CXCR2 (0.62) CXCR2MEN1ALDH1A1KMT2ACNR2
SCHEMBL485783 0.87 MRGPRX4 (0.47) MEN1ALDH1A1KMT2ACNR2CNR1
SCHEMBL485511 0.86 CXCR2 (0.62) CXCR2MEN1ALDH1A1KMT2ACNR2
SCHEMBL485894 0.85 CXCR2 (0.48) CXCR2MEN1ALDH1A1KMT2ACNR2
Formic Acid SCHEMBL27713047 0.85 CXCR2 (0.58) CXCR2MEN1ALDH1A1KMT2ACNR2
Formic Acid SCHEMBL27693231 0.84 MRGPRX4 (0.45) MEN1ALDH1A1KMT2ACNR2CNR1
SCHEMBL485837 0.83 ALDH1A1 (0.48) CXCR2MEN1ALDH1A1KMT2ACNR2
Formic Acid SCHEMBL27712959 0.83 CNR2 (0.56) CXCR2MEN1ALDH1A1KMT2ACNR2

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