SCHEMBL8938964

SCHEMBL8938964

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.39
CCR3 P51677 6/20 0.39
SCN8A Q9UQD0 2/20 0.37
MAOA P21397 4/20 0.37
MAOB P27338 4/20 0.37
ADRB2 P07550 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ENPP2 Q13822 2/20 0.35
KCNH2 Q12809 2/20 0.35
ACHE P22303 1/20 0.35
HTR1D P28221 1/20 0.34
SCN1A P35498 1/20 0.34

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
SCHEMBL8936820 0.94 ADRB2 (0.43) HRH1CCR3MAOAMAOBADRB2
SCHEMBL8936719 0.90 HRH1 (0.42) HRH1CCR3SCN8AMAOAMAOB
SCHEMBL8936686 0.89 MAOB (0.47) HRH1CCR3SCN8AMAOAMAOB
SCHEMBL8938976 0.88 HRH1 (0.39) HRH1CCR3SCN8AMAOAMAOB
SCHEMBL8936664 0.88 SMN1; SMN2 (0.48) HRH1CCR3SCN8AMAOAMAOB
SCHEMBL8936890 0.87 TEAD1 (0.41) HRH1CCR3SCN8AMAOAMAOB
SCHEMBL8936773 0.86 HRH1 (0.46) HRH1CCR3SCN8AMAOAMAOB
SCHEMBL8936704 0.85 HRH1 (0.45) HRH1CCR3MAOAMAOBSMN1; SMN2
SCHEMBL8938958 0.83 HRH1 (0.40) HRH1CCR3MAOAMAOBKCNH2
SCHEMBL8938967 0.83 HRH1 (0.44) HRH1CCR3SCN8AMAOAMAOB

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