SCHEMBL31073166

SCHEMBL31073166

Nc1ccc(N2CCN(c3ccc(CO)nc3)CC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.44
GCK P35557 2/20 0.41
AOC3 Q16853 9/20 0.40
TRPC6 Q9Y210 5/20 0.40
GCKR Q14397 1/20 0.39
RPS6KA3 P51812 2/20 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
SCHEMBL31073314 0.85 HRH3 (0.44) HRH3GCKTRPC6
SCHEMBL30922297 0.82 CHKA (0.51) HRH3
SCHEMBL20332608 0.79 ROCK2 (0.46) GCKTRPC6
SCHEMBL3650490 0.79 POLB (0.51) HRH3
SCHEMBL4024508 0.79 CHRNB2 (0.58) HRH3AOC3
SCHEMBL3853696 0.78 HRH3 (0.53) HRH3AOC3
SCHEMBL29630875 0.78 HRH3 (0.53) HRH3AOC3
SCHEMBL24375241 0.78 GCK (0.39) HRH3GCKTRPC6GCKRRPS6KA3
SCHEMBL31073218 0.78 SMO (0.46) HRH3GCKAOC3TRPC6GCKR
SCHEMBL21245620 0.77 PIK3CA (0.51) GCKTRPC6

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-2024173646-A1 CYCLIN-DEPENDENT KINASE DEGRADING COMPOUNDS INNOVO THERAPEUTICS, INC. (US) 2024-08-22 WO disclosed