SCHEMBL8071248

SCHEMBL8071248

O=C(c1ccccc1)N(OCCCCc1ccccc1)c1ccc2c(=O)c3[nH]nnc3c(=O)[nH]c2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.33
RUVBL1 Q9Y265 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
CYSLTR2 Q9NS75 2/20 0.31
CYSLTR1 Q9Y271 2/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ABCC4 O15439 1/20 0.31
ABCB11 O95342 1/20 0.31
PGR P06401 1/20 0.31
HTR1A P08908 1/20 0.31
AR P10275 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 1/20 0.31
PDE4A P27815 1/20 0.31
ADORA1 P30542 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31

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 0.79 MAOA (0.47) HCAR2
SCHEMBL7816229 0.76 MAOA (0.47)
SCHEMBL8068214 0.76 LPAR1 (0.39) LPAR1
SCHEMBL8073544 0.75 RUVBL1 (0.54) RUVBL1CYSLTR2CYSLTR1ABCC4ABCB11
SCHEMBL7823832 0.69 CTSV (0.41) PTGES
SCHEMBL7826259 0.68 PTGES (0.51) HTR1APTGES
SCHEMBL28787973 0.67 KMT2A (0.49) LPAR1NR1H4
SCHEMBL7822908 0.66 KDM4E (0.38) SLC6A2SLC6A3PARP1PTGES
SCHEMBL7824709 0.66 PDE2A (0.41)
SCHEMBL7831263 0.66 ACHE (0.52)

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 2 patents. 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
EP-0834512-A1 TRICYCLIC BENZAZEPINE COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 1998-04-08 EP disclosed