SCHEMBL13930797

SCHEMBL13930797

O=C(NCCc1cccc(Cl)c1)N1CCN(c2ncccc2Cl)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.60
▸ TRPA1 O75762 3/20 0.57
▸ RBP4 P02753 1/20 0.54
▸ P2RY12 Q9H244 1/20 0.54
▸ MALT1 Q9UDY8 1/20 0.51
▸ KCNH2 Q12809 1/20 0.50
▸ TRPM8 Q7Z2W7 1/20 0.50
▸ TRPV1 Q8NER1 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL13930757 0.89 CHRM4 (0.70) CHRM4TRPA1P2RY12KCNH2TRPM8
SCHEMBL13930804 0.87 TRPA1 (0.60) CHRM4TRPA1P2RY12KCNH2TRPM8
SCHEMBL13377921 0.84 CHRM4 (0.59) CHRM4TRPA1RBP4P2RY12KCNH2
SCHEMBL14423759 0.84 P2RY12 (0.59) CHRM4TRPA1RBP4P2RY12KCNH2
SCHEMBL13377920 0.84 CHRM4 (0.59) CHRM4TRPA1RBP4P2RY12KCNH2
SCHEMBL13377924 0.84 KIT (0.54) CHRM4RBP4MALT1TRPV1MEN1
SCHEMBL13377922 0.82 TRPV1 (0.70) CHRM4TRPA1P2RY12KCNH2TRPM8
SCHEMBL14423745 0.82 CHRM4 (0.56) CHRM4TRPA1RBP4P2RY12KCNH2
SCHEMBL13377919 0.78 CHRM4 (0.54) CHRM4TRPA1KCNH2TRPM8TRPV1
SCHEMBL13930750 0.77 TRPA1 (0.63) CHRM4TRPA1P2RY12KCNH2TRPM8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2033951-A2 2-Piperazine-pyridines useful for treating pain EURO-CELTIQUE S.A. (LU) 2009-03-11 — — EP disclosed
US-7256193-B2 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. (LU) 2007-08-14 — — US disclosed
US-7256193-B2 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. (LU) 2007-08-14 — — US disclosed
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