SCHEMBL18860204

SCHEMBL18860204

CCN(CC)CCCCNCc1cc(C=NCC2(C)CC2)ccn1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 3/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ CCR4 P51679 1/20 0.32
▸ HSP90AA1 P07900 2/20 0.31
▸ HSP90AB1 P08238 2/20 0.31
▸ SIRT2 Q8IXJ6 2/20 0.31

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
SCHEMBL16303325 0.87 CHRM2 (0.34) CHRM2S1PR1CCR4HSP90AA1HSP90AB1
SCHEMBL16293029 0.87 CHRM2 (0.34) CHRM2S1PR1CCR4HSP90AA1HSP90AB1
SCHEMBL16305527 0.82 S1PR1 (0.37) CHRM2S1PR1CCR4HSP90AA1HSP90AB1
SCHEMBL16292953 0.82 S1PR1 (0.37) CHRM2S1PR1CCR4HSP90AA1HSP90AB1
SCHEMBL16303330 0.82 CHRM2 (0.35) CHRM2S1PR1CCR4HSP90AA1HSP90AB1
SCHEMBL16292703 0.82 CHRM2 (0.35) CHRM2S1PR1CCR4HSP90AA1HSP90AB1
SCHEMBL16292636 0.81 CHRM2 (0.34) CHRM2S1PR1CCR4HSP90AA1HSP90AB1
SCHEMBL16303337 0.81 CHRM2 (0.34) CHRM2S1PR1CCR4HSP90AA1HSP90AB1
SCHEMBL16293258 0.81 CHRM2 (0.35) CHRM2S1PR1CCR4HSP90AA1HSP90AB1
SCHEMBL16292962 0.81 CHRM2 (0.39) CHRM2S1PR1CCR4HSP90AA1HSP90AB1

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
EP-3170811-A1 ETHYL PYRIDINE-4-CARBOXYLATE COMPOUND AS INHIBITOR OF HISTONE DEMETHYLASES Gilead Sciences, Inc. (US) 2017-05-24 — — EP disclosed
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