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SCHEMBL8938976

SCHEMBL8938976

Cc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccc(S(=O)(=O)C(C)(F)F)cc4)CC3)c(F)c12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 6/20 0.39
▸ CCR3 P51677 6/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ SCN8A Q9UQD0 8/20 0.38
▸ SCN1A P35498 7/20 0.37
▸ TEAD1 P28347 1/20 0.35
▸ ENPP2 Q13822 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35

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
SCHEMBL8936890 0.94 TEAD1 (0.41) HRH1CCR3KCNH2SCN8ASCN1A
SCHEMBL8936773 0.90 HRH1 (0.46) HRH1CCR3KCNH2SCN8ASCN1A
SCHEMBL8938964 0.88 HRH1 (0.39) HRH1CCR3KCNH2SCN8ASCN1A
SCHEMBL8936820 0.87 ADRB2 (0.43) HRH1CCR3KCNH2TEAD1ENPP2
SCHEMBL8936719 0.87 HRH1 (0.42) HRH1CCR3KCNH2SCN8ASCN1A
SCHEMBL8936686 0.86 MAOB (0.47) HRH1CCR3KCNH2SCN8AMAOA
SCHEMBL8936664 0.85 SMN1; SMN2 (0.48) HRH1CCR3SCN8ASCN1AMAOA
SCHEMBL8936704 0.83 HRH1 (0.45) HRH1CCR3KCNH2MAOAMAOB
SCHEMBL8938958 0.81 HRH1 (0.40) HRH1CCR3KCNH2MAOAMAOB
SCHEMBL8938967 0.80 HRH1 (0.44) HRH1CCR3KCNH2SCN8ASCN1A

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-8188117-B2 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2012-05-29 — — US disclosed