SCHEMBL14833265

SCHEMBL14833265

O=C(O)N1CCN2CCC(Oc3ccc(Cl)cn3)C2C1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 13/20 0.41
▸ HCRTR2 O43614 8/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.39
▸ TACR3 P29371 3/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ MMP1 P03956 1/20 0.37

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
SCHEMBL14815191 0.85 GPR119 (0.43) HCRTR1TACR3
SCHEMBL14815189 0.85 GPR119 (0.43) HCRTR1TACR3
SCHEMBL14815181 0.79 MGLL (0.48) HCRTR1HCRTR2
SCHEMBL14815085 0.79 MGLL (0.48) HCRTR1HCRTR2
SCHEMBL14815083 0.79 MGLL (0.48) HCRTR1HCRTR2
SCHEMBL7107806 0.78 MMP1 (0.47) HCRTR1HCRTR2TACR3MMP1
SCHEMBL7105199 0.78 MMP1 (0.47) HCRTR1HCRTR2TACR3MMP1
SCHEMBL14815060 0.77 HRH3 (0.39) HCRTR1HCRTR2HRH3TACR3KCNH2
SCHEMBL14814968 0.77 HRH3 (0.39) HCRTR1HCRTR2HRH3TACR3KCNH2
SCHEMBL5274039 0.76 MMP1 (0.44) HCRTR1HCRTR2HRH3KCNH2MMP1

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-2013049164-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — WO disclosed
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