SCHEMBL18636745

SCHEMBL18636745

CC(C)(C)CNc1cc(N2CC3NCCC[C@@H]3C2)ncn1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 13/20 0.54
HRH3 Q9Y5N1 5/20 0.54
HRH2 P25021 2/20 0.41
PRCP P42785 5/20 0.39
HTR3A P46098 1/20 0.38
ROCK1 Q13464 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
SCHEMBL1779716 1.00 HRH4 (0.54) HRH4HRH3HRH2PRCPHTR3A
SCHEMBL1774041 1.00 HRH4 (0.54) HRH4HRH3HRH2PRCPHTR3A
SCHEMBL1774896 0.89 HRH4 (0.60) HRH4HRH3HRH2PRCPHTR3A
SCHEMBL1774077 0.85 HRH4 (0.47) HRH4HRH3PRCPHTR3A
SCHEMBL1775394 0.85 HRH4 (0.47) HRH4HRH3PRCPHTR3A
SCHEMBL1774739 0.84 HRH4 (0.49) HRH4HRH3PRCPHTR3AROCK1
SCHEMBL1774422 0.84 HRH4 (0.49) HRH4HRH3PRCPHTR3AROCK1
SCHEMBL18486242 0.83 HRH4 (0.62) HRH4HRH3HTR3AROCK1
SCHEMBL18486240 0.83 HRH4 (0.62) HRH4HRH3HTR3AROCK1
SCHEMBL5152791 0.83 HRH4 (0.62) HRH4HRH3HTR3AROCK1

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-1966162-B1 PYRIMIDINE DERIVATIVES ZIARCO PHARMA LTD (GB) 2017-03-15 EP disclosed