SCHEMBL485826

SCHEMBL485826

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.51
HCRTR1 O43613 3/20 0.46
MAPT P10636 2/20 0.43
CRHR1 P34998 7/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
FAAH O00519 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
ACKR3 P25106 1/20 0.41

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
SCHEMBL485687 0.90 MRGPRX4 (0.45) MRGPRX4HCRTR1MAPTLMNAPOLB
SCHEMBL485799 0.88 MRGPRX4 (0.45) MRGPRX4HCRTR1MAPTLMNAPOLB
SCHEMBL485710 0.87 MRGPRX4 (0.56) MRGPRX4CRHR1KMT2A
SCHEMBL485668 0.86 CXCR2 (0.47) MRGPRX4HCRTR1MAPTLMNAPOLB
Formic Acid SCHEMBL27693250 0.86 MRGPRX4 (0.43) MRGPRX4HCRTR1MAPTLMNAPOLB
SCHEMBL486088 0.85 MRGPRX4 (0.56) MRGPRX4CRHR1KMT2A
SCHEMBL485738 0.84 MRGPRX4 (0.51) MRGPRX4MAPTCRHR1LMNAPOLB
Formic Acid SCHEMBL27693269 0.83 MRGPRX4 (0.54) MRGPRX4CRHR1KMT2A
Bicarbonate SCHEMBL485873 0.82 MRGPRX4 (0.49) MRGPRX4MAPTCRHR1LMNAPOLB
SCHEMBL485840 0.82 MRGPRX4 (0.47) MRGPRX4FAAHGAAKMT2A

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