SCHEMBL11037574

SCHEMBL11037574

CCN(CC)CCOc1ccc(-n2cc(-c3ccc(OC)cc3)c(N)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.61
MCHR1 Q99705 9/20 0.53
RAB9A P51151 1/20 0.46
ESR1 P03372 1/20 0.45
BMP4 P12644 1/20 0.44
RIPK2 O43353 1/20 0.44
NOD2 Q9HC29 1/20 0.44

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
SCHEMBL10417253 0.77 MAPKAPK2 (0.70) MAPKAPK2RAB9A
SCHEMBL8206418 0.77 MAPKAPK2 (0.70) MAPKAPK2RAB9A
SCHEMBL10540093 0.72 ABCB11 (0.62) MCHR1ESR1RIPK2NOD2
SCHEMBL6831337 0.72 MCHR1 (0.53) MCHR1ESR1
SCHEMBL12440415 0.70 MCHR1 (0.73) MCHR1RAB9AESR1BMP4
SCHEMBL12440250 0.69 MCHR1 (0.68) MCHR1ESR1
SCHEMBL9706125 0.68 EBP (0.72) MCHR1ESR1
SCHEMBL10970158 0.68 MCHR1 (0.91) MCHR1ESR1
SCHEMBL30615777 0.67 MEN1 (0.65) MCHR1RAB9AESR1
SCHEMBL26914701 0.67 MCHR1 (0.51) MCHR1ESR1

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-0178035-A1 Anti-inflammatory 1,N-diarylpyrazol-3-amines, compositions containing them and processes for their preparation FISONS plc (GB) 1986-04-16 EP claimed