SCHEMBL8073544

SCHEMBL8073544

O=C(Nc1ccc2c(=O)c3[nH]nnc3c(=O)[nH]c2c1)c1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RUVBL1 Q9Y265 1/20 0.54
NR1H4 Q96RI1 5/20 0.53
CYSLTR1 Q9Y271 8/20 0.51
CYSLTR2 Q9NS75 6/20 0.46
ABCC4 O15439 1/20 0.46
ABCB11 O95342 1/20 0.46
PGR P06401 1/20 0.46
HTR1A P08908 1/20 0.46
AR P10275 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
PDE4A P27815 1/20 0.46
ADORA1 P30542 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GPR17 Q13304 1/20 0.46

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
SCHEMBL7827564 0.85 MAOA (0.47)
SCHEMBL7831194 0.79 MAPT (0.58)
SCHEMBL7824605 0.78 CTSV (0.43)
SCHEMBL7829082 0.77 CTSV (0.44)
SCHEMBL8071248 0.75 LPAR1 (0.33) RUVBL1NR1H4CYSLTR1CYSLTR2ABCC4
SCHEMBL7832144 0.75 CTSV (0.42) ADORA1
SCHEMBL7824749 0.74 CTSV (0.60)
SCHEMBL7823832 0.73 CTSV (0.41)
SCHEMBL8073487 0.72 MAOA (0.55)
SCHEMBL7831835 0.72 CTSV (0.40) HTR1ACHRM1DRD1ADRA1AOPRM1

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
US-6093714-A AN ANTIALLERGENS FOR TREATMENT AND PREVENTION OF BRONCHIAL ASTHMA, ECZEMA, HIVES, ALLERGIC GASTROINTESTINAL TROUBLES, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS MEIJI SEIKA KAISHA, LTD. (JP) 2000-07-25 US disclosed