SCHEMBL30242527

SCHEMBL30242527

Ic1nn(C2CCCCO2)c2ccc(OCCCN(Cc3ccccc3)Cc3ccccc3)cc12.O=S(=O)(O)CCCCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.38
KCNA5 P22460 2/20 0.37
MAOB P27338 8/20 0.36
ACHE P22303 4/20 0.36
MAOA P21397 3/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
BCHE P06276 3/20 0.36
LTA4H P09960 1/20 0.34
AVPR1B P47901 1/20 0.34

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
SCHEMBL24012964 0.92 CYP4F2 (0.41) KCNA5MAOBACHEMAOACYP4F2
SCHEMBL30242615 0.92 CYP4F2 (0.41) KCNA5MAOBACHEMAOACYP4F2
SCHEMBL26630592 0.85 CYP4F2 (0.39) PLA2G2AKCNA5ACHECYP4F2CYP4A11
SCHEMBL24012965 0.82 MAOB (0.41) KCNA5MAOBACHEMAOACYP4F2
SCHEMBL24012869 0.80 CYP4F2 (0.37) CYP4F2CYP4A11
SCHEMBL24012601 0.80 CYP4F2 (0.37) CYP4F2CYP4A11
SCHEMBL24013113 0.79 CYP4F2 (0.52) MAOBMAOACYP4F2CYP4A11
SCHEMBL27032051 0.78 CYP4F2 (0.42) PLA2G2AMAOBACHEMAOACYP4F2
SCHEMBL27032476 0.78 CYP4F2 (0.40) PLA2G2AMAOBMAOACYP4F2CYP4A11
SCHEMBL30242688 0.77 KCNA5 (0.38) KCNA5MAOBACHEMAOACYP4F2

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
EP-4146658-A1 NEW MACROCYCLIC LRRK2 KINASE INHIBITORS Les Laboratoires Servier (FR) 2023-03-15 EP disclosed