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Sugi Predict / Compounds / SCHEMBL3373065

SCHEMBL3373065

SCHEMBL3373065

C=Cc1nc(OC2CCN(C3CCC3)CC2)c(F)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 16/20 0.41
▸ SGK1 O00141 4/20 0.34
▸ KCNH2 Q12809 3/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL3369084 0.90 HRH3 (0.43) HRH3SGK1KCNH2CYP2D6
SCHEMBL3369618 0.84 HRH3 (0.44) HRH3SGK1KCNH2
SCHEMBL3372217 0.80 HRH3 (0.47) HRH3SGK1KCNH2CYP2D6
SCHEMBL3369520 0.73 HRH3 (0.47) HRH3SGK1KCNH2
SCHEMBL3369564 0.71 HRH3 (0.45) HRH3KCNH2
SCHEMBL5208026 0.67 HRH3 (0.40) HRH3KCNH2
SCHEMBL1038688 0.67 MAPT (0.43) HRH3SGK1CYP2D6
SCHEMBL3367457 0.66 HRH3 (0.44) HRH3SGK1KCNH2ADRA1ACYP2D6
SCHEMBL3369567 0.65 HRH3 (0.49) HRH3KCNH2ADRA1A
SCHEMBL3370618 0.65 HRH3 (0.38) HRH3SGK1KCNH2

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
WO-2010052222-A1 (DIHYDRO)NAPHTHYRIDINONE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-05-14 — — WO disclosed
WO-2010052222-A1 (DIHYDRO)NAPHTHYRIDINONE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-05-14 — — WO disclosed