SCHEMBL8818261

SCHEMBL8818261

CCCCC(c1cnc[nH]1)c1cnc[nH]1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
CYP19A1 P11511 7/20 0.48
HRH4 Q9H3N8 1/20 0.47
CPB2 Q96IY4 5/20 0.45
CPB1 P15086 2/20 0.44

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
SCHEMBL14464497 0.83 HRH3 (0.59) HRH3HRH4CPB2CPB1
SCHEMBL20008117 0.81 HRH3 (0.46) HRH3HRH4CPB2CPB1
SCHEMBL2626826 0.81 ADRA2A (0.63) CYP19A1
SCHEMBL8820677 0.79 HRH3 (0.53) HRH3CYP19A1HRH4CPB2CPB1
SCHEMBL20966632 0.79 HRH3 (0.47) HRH3HRH4CPB2CPB1
SCHEMBL25866505 0.79 HRH3 (0.47) HRH3HRH4CPB2CPB1
SCHEMBL14415990 0.79 HRH3 (0.54) HRH3HRH4CPB2CPB1
SCHEMBL22692972 0.77 HRH3 (0.56) HRH3HRH4CPB2CPB1
SCHEMBL10613000 0.77 HRH3 (0.56) HRH3HRH4CPB2CPB1
SCHEMBL10858595 0.74 HRH3 (0.53) HRH3HRH4CPB2CPB1

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-1997047623-A1 IMIDAZOLE DERIVATIVES AS PROTECTIVE AGENTS IN REPERFUSION INJURY AND SEVERE INFLAMMATORY RESPONSES CYTOS PHARMACEUTICALS LLC (US) 1997-12-18 WO disclosed