SCHEMBL18331720

SCHEMBL18331720

CN/C=C/C(=O)c1cc2cc(F)c(C3CCN(C(C)C)CC3)cc2n1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.42
▸ F10 P00742 9/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ NOD2 Q9HC29 1/20 0.34
▸ NOD1 Q9Y239 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ GPR119 Q8TDV5 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
SCHEMBL18332167 0.86 HRH3 (0.47) HRH3F10ALOX5LMNAGAA
SCHEMBL18332163 0.81 HRH3 (0.41) HRH3F10ALOX5LMNAGAA
SCHEMBL10004969 0.79 NOD2 (0.54) HRH3F10ALOX5LMNAGAA
SCHEMBL18332221 0.79 HRH3 (0.39) HRH3F10ALOX5LMNAGAA
SCHEMBL10004537 0.78 HRH3 (0.41) HRH3F10ALOX5LMNAGAA
SCHEMBL18332121 0.77 HRH3 (0.40) HRH3F10ALOX5LMNAGAA
SCHEMBL20584132 0.77 LMNA (0.41) HRH3ALOX5LMNAGAAPTGDR2
SCHEMBL10003201 0.76 HRH3 (0.39) HRH3F10ALOX5LMNAGAA
SCHEMBL11931671 0.76 HRH3 (0.39) HRH3F10ALOX5LMNAGAA
SCHEMBL10003199 0.76 HRH3 (0.39) HRH3F10ALOX5LMNAGAA

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
WO-2016204261-A1 AMINOPYRAZOLE DERIVATIVES 中外製薬株式会社 2016-12-22 — — WO disclosed
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