SCHEMBL11615558

SCHEMBL11615558

C#CC(N)Cc1[nH]c(Br)nc1Br

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 1/20 0.33

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
SCHEMBL11615142 0.71
SCHEMBL11611582 0.68
SCHEMBL11613201 0.66
SCHEMBL11615554 0.64
SCHEMBL3101336 0.60 PRKACA (0.41) PRKACA
SCHEMBL5028263 0.55
SCHEMBL11614874 0.55 HRH3 (0.59)
SCHEMBL69879 0.54
Hydrochloric Acid SCHEMBL11614746 0.54 HRH4 (0.61)
Hydrochloric Acid SCHEMBL11612123 0.54 HRH4 (0.61)

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-4100349-A ANTIHISTAMINES METCALF BRIAN WALTER 1978-07-11 US disclosed