SCHEMBL486037

SCHEMBL486037

CC(Oc1c(C(=O)NC2CCCC2)cc(Cl)c2ccccc12)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.47
MRGPRX4 Q96LA9 2/20 0.44
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 2/20 0.42
DRD4 P21917 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
TRPV1 Q8NER1 4/20 0.40
RAB9A P51151 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
NPC1 O15118 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
SCHEMBL485710 0.81 MRGPRX4 (0.56) CRHR1MRGPRX4DRD4KMT2ACNR1
SCHEMBL486088 0.79 MRGPRX4 (0.56) CRHR1MRGPRX4DRD4KMT2ACNR1
Formic Acid SCHEMBL27693269 0.77 MRGPRX4 (0.54) CRHR1MRGPRX4DRD4KMT2ACNR1
SCHEMBL485826 0.76 MRGPRX4 (0.51) CRHR1MRGPRX4MAPTLMNAPOLB
SCHEMBL485738 0.76 MRGPRX4 (0.51) CRHR1MRGPRX4MAPTDRD4LMNA
Bicarbonate SCHEMBL485873 0.75 MRGPRX4 (0.49) CRHR1MRGPRX4MAPTLMNAPOLB
Formic Acid SCHEMBL27693274 0.73 MAPT (0.44) CRHR1MAPTDRD4CNR1CNR2
Formic Acid SCHEMBL27693450 0.73 MRGPRX4 (0.49) CRHR1MRGPRX4MAPTDRD4LMNA
Formic Acid SCHEMBL27693419 0.73 MRGPRX4 (0.49) CRHR1MRGPRX4MAPTDRD4LMNA
SCHEMBL485840 0.71 MRGPRX4 (0.47) MRGPRX4GAAKMT2ACNR1CNR2

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