SCHEMBL31332798

SCHEMBL31332798

N#Cc1cccc(C2(CN)COC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 1/20 0.45
PRKACG P22612 1/20 0.45
PRKACB P22694 1/20 0.45
SLC6A4 P31645 4/20 0.42
SLC6A3 Q01959 2/20 0.42
HSD11B1 P28845 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCD Q05655 1/20 0.39
TYRO3 Q06418 1/20 0.39
BACE1 P56817 2/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ADRA2C P18825 1/20 0.36
DPP4 P27487 2/20 0.36
SLC6A2 P23975 1/20 0.36
ICMT O60725 1/20 0.36
LRRK2 Q5S007 1/20 0.35

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
SCHEMBL10357428 0.79 HSD11B1 (0.38) PRKACAPRKACGPRKACBSLC6A4HSD11B1
SCHEMBL31332630 0.79 SLC6A4 (0.66) PRKACAPRKACGPRKACBSLC6A4SLC6A3
SCHEMBL27143071 0.76 HTR2A (0.46) SLC6A4SLC6A3PRKCBPRKCAPRKCQ
SCHEMBL30824546 0.76 HTR2A (0.46) SLC6A4SLC6A3PRKCBPRKCAPRKCQ
SCHEMBL27167132 0.76 SLC6A4 (0.41) PRKACAPRKACGPRKACBSLC6A4SLC6A3
SCHEMBL31332763 0.74 ICMT (0.42) PRKACAPRKACGPRKACBSLC6A4SLC6A3
SCHEMBL31332753 0.74 ICMT (0.42) PRKACAPRKACGPRKACBSLC6A4SLC6A3
SCHEMBL16296466 0.74 MAOB (0.65) SLC6A4SLC6A3PRKCBPRKCAPRKCQ
SCHEMBL8235298 0.72 SLC6A4 (0.68) PRKACASLC6A4SLC6A3PRKCBPRKCA
Hydrochloric Acid SCHEMBL3910851 0.71 SLC6A4 (0.67) SLC6A4SLC6A3PRKCBPRKCAPRKCQ

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709708-A1 NOVEL CARBOXAMIDE DERIVATIVES ANGELINI PHARMA S.P.A. (IT) 2026-03-18 EP disclosed
WO-2024233603-A1 NOVEL CARBOXAMIDE DERIVATIVES ICAGEN, LLC (US) 2024-11-14 WO disclosed