SCHEMBL485738

SCHEMBL485738

O=C(NC1CCCC1)c1cc(Cl)c2ccccc2c1OCc1ccc(C(F)(F)F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.51
CRHR1 P34998 10/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD4 P21917 1/20 0.41
PTGDR Q13258 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
CRHR2 Q13324 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
Bicarbonate SCHEMBL485873 0.98 MRGPRX4 (0.49) MRGPRX4CRHR1MAPTLMNAPOLB
Formic Acid SCHEMBL27693419 0.96 MRGPRX4 (0.49) MRGPRX4CRHR1MAPTLMNAPOLB
SCHEMBL485934 0.87 CXCR2 (0.47) MRGPRX4CRHR1MAPTLMNAPOLB
SCHEMBL485710 0.87 MRGPRX4 (0.56) MRGPRX4CRHR1DRD4
Formic Acid SCHEMBL27693450 0.87 MRGPRX4 (0.49) MRGPRX4CRHR1MAPTLMNAPOLB
SCHEMBL485567 0.85 CXCR2 (0.47) MRGPRX4CRHR1MAPTLMNAPOLB
SCHEMBL486088 0.85 MRGPRX4 (0.56) MRGPRX4CRHR1DRD4
Formic Acid SCHEMBL27712986 0.85 GRM5 (0.42) MRGPRX4NPC1RAB9ASMN1; SMN2
Formic Acid SCHEMBL27693233 0.84 CXCR2 (0.44) MRGPRX4CRHR1MAPTLMNAPOLB
SCHEMBL485826 0.84 MRGPRX4 (0.51) MRGPRX4CRHR1MAPTLMNAPOLB

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