SCHEMBL7367730

SCHEMBL7367730

CCCCCc1ccc(-n2nccc2-c2ccc(=O)n(C(C)C)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
MAPT P10636 1/20 0.36
PDPK1 O15530 2/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
KAT2B Q92831 1/20 0.32
SPHK1 Q9NYA1 4/20 0.32
S1PR1 P21453 2/20 0.32
S1PR2 O95136 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL24785694 0.64 TLR7 (0.39) SPHK1
SCHEMBL23923721 0.62 PTGS2 (0.41)
SCHEMBL23924076 0.61 CNR1 (0.45)
SCHEMBL24601359 0.59 ALDH1A1 (0.54) FAAHMGLLCA2
SCHEMBL10568240 0.59 ESR1 (0.73) MGLLCA1CA2
SCHEMBL181089 0.59 ESR1 (0.73) MGLLCA1CA2
SCHEMBL3482538 0.58 MGLL (0.97) FAAHMGLLCA2
SCHEMBL3395815 0.57 MGLL (1.00) FAAHMGLLS1PR1
SCHEMBL8736182 0.57 MGLL (1.00) FAAHMGLLS1PR1
SCHEMBL2511615 0.57 ESR1 (0.77) MGLLCA2S1PR1

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
EP-1244669-A1 PYRAZOLOPYRAZINES AND THEIR USE AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-10-02 EP disclosed
WO-2001040230-A1 PYRAZOLOPYRAZINES AND THEIR USE AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-07 WO disclosed