SCHEMBL20374411

SCHEMBL20374411

N=Cn1c(=N)c(N2CC(N)C2)nc2ncc(Cl)cc21

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 19/20 0.58
▸ HRH3 Q9Y5N1 4/20 0.43
▸ HTR3A P46098 2/20 0.43

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
SCHEMBL20374511 0.85 HRH4 (0.43) HRH4HRH3HTR3A
SCHEMBL20374521 0.84 HRH4 (0.48) HRH4HRH3HTR3A
SCHEMBL20374416 0.83 HRH4 (0.61) HRH4HRH3
SCHEMBL20374518 0.81 HRH4 (0.60) HRH4HRH3HTR3A
SCHEMBL20374602 0.81 HRH4 (0.60) HRH4HRH3HTR3A
SCHEMBL20374615 0.80 HRH4 (0.63) HRH4HRH3HTR3A
SCHEMBL20374423 0.78 HRH4 (0.42) HRH4HRH3HTR3A
SCHEMBL20859329 0.76 HRH4 (0.58) HRH4HRH3HTR3A
SCHEMBL14828803 0.74 HRH4 (1.00) HRH4HRH3HTR3A
SCHEMBL20374412 0.73 HRH4 (0.51) HRH4HRH3HTR3A

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-2760865-B1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RES LAB (KR) 2018-07-11 — — EP disclosed
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