SCHEMBL9857424

SCHEMBL9857424

O=C(O)COc1ccc(Br)cc1NC(=O)c1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.56
PLA2G4B P0C869 1/20 0.48
CYSLTR2 Q9NS75 8/20 0.47
CYSLTR1 Q9Y271 8/20 0.47
ABCC4 O15439 1/20 0.47
ABCB11 O95342 1/20 0.47
PGR P06401 1/20 0.47
HTR1A P08908 1/20 0.47
AR P10275 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD1 P21728 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
PDE4A P27815 1/20 0.47
ADORA1 P30542 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
SLC6A3 Q01959 1/20 0.47
GPR17 Q13304 1/20 0.47

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
SCHEMBL9713433 0.91 NR1H4 (0.59) NR1H4PLA2G4BCYSLTR2CYSLTR1ABCC4
SCHEMBL9857436 0.91 NR1H4 (0.65) NR1H4PLA2G4BCYSLTR2CYSLTR1ABCC4
SCHEMBL9713448 0.89 NR1H4 (0.57) NR1H4PLA2G4BCYSLTR2CYSLTR1ABCC4
SCHEMBL9857411 0.89 NR1H4 (0.51) NR1H4PLA2G4BCYSLTR2CYSLTR1ABCC4
SCHEMBL9712991 0.88 NR1H4 (0.56) NR1H4PLA2G4BCYSLTR2CYSLTR1SCN5A
SCHEMBL9713529 0.88 NR1H4 (0.59) NR1H4PLA2G4BCYSLTR2CYSLTR1ABCC4
SCHEMBL9712985 0.88 NR1H4 (0.56) NR1H4PLA2G4BCYSLTR2CYSLTR1ABCC4
SCHEMBL9713290 0.88 NR1H4 (0.56) NR1H4PLA2G4BCYSLTR2CYSLTR1ABCC4
SCHEMBL9857064 0.88 NR1H4 (0.56) NR1H4PLA2G4BCYSLTR2CYSLTR1ABCC4
SCHEMBL9857004 0.88 NR1H4 (0.56) NR1H4PLA2G4BCYSLTR2CYSLTR1ABCC4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4994479-A Antagonists of SRS-A(slow reacting substance of anaphylaxis); antiallergens, antiischemic agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-02-19 US disclosed
EP-0218728-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1987-04-22 EP disclosed
WO-1986005779-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-10-09 WO disclosed