SCHEMBL2886484

SCHEMBL2886484

CN(C)C1CCN(C(=O)c2ccccc2Cn2cnc3ccccc32)C1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.72
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
POLR1A O95602 1/20 0.42
ATR Q13535 1/20 0.40

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
SCHEMBL13085882 0.85 HRH3 (0.74) HRH3CYP11B1CYP11B2
SCHEMBL2883495 0.84 HRH3 (1.00) HRH3
SCHEMBL2892498 0.82 HRH3 (0.71) HRH3
SCHEMBL2886483 0.82 HRH3 (0.81) HRH3CYP11B1CYP11B2ATR
SCHEMBL2883340 0.81 HRH3 (0.98) HRH3CYP11B1CYP11B2
SCHEMBL1809750 0.74 HRH3 (0.70) HRH3ATR
SCHEMBL2884381 0.73 CYP11B1 (0.60) HRH3CYP11B1CYP11B2
SCHEMBL1811328 0.73 HRH3 (0.62) HRH3ATR
SCHEMBL2885714 0.72 HRH3 (0.78) HRH3CYP11B2ATR
SCHEMBL2887674 0.72 HRH3 (0.78) HRH3ATR

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
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed