SCHEMBL24013115

SCHEMBL24013115

Cc1nn(C2CCCCO2)c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.47
CYP4A11 Q02928 3/20 0.47
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
HTR3A P46098 2/20 0.43
DRD1 P21728 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
ATR Q13535 1/20 0.42
DYRK1A Q13627 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOB P27338 3/20 0.41
SRD5A2 P31213 1/20 0.40
CYP2D6 P10635 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL24013113 0.88 CYP4F2 (0.52) CYP4F2CYP4A11MEN1NPC1RAB9A
SCHEMBL24012965 0.85 MAOB (0.41) CYP4F2CYP4A11DRD1MAOBACHE
SCHEMBL24012856 0.83 PDE4B (0.42) NPC1RAB9AMAOBCYP2D6ACHE
SCHEMBL24012651 0.82 LSS (0.38) CYP4F2CYP4A11MEN1KMT2ADRD1
SCHEMBL24012527 0.81 CYP4F2 (0.42) CYP4F2CYP4A11MEN1NPC1RAB9A
SCHEMBL177024 0.81 CYP4F2 (0.43) CYP4F2CYP4A11NPC1RAB9AHTR3A
SCHEMBL28989533 0.81 MAOB (0.46) CYP4F2CYP4A11MEN1NPC1RAB9A
SCHEMBL24012458 0.80 MAPT (0.47) MEN1RAB9AKMT2ADRD1L3MBTL1
SCHEMBL176753 0.80 CYP4F2 (0.44) CYP4F2CYP4A11HTR3ACNR1CNR2
SCHEMBL177022 0.80 HTR3A (0.48) CYP4F2CYP4A11KMT2AHTR3ACNR1

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-2021224320-A1 NEW MACROCYCLIC LRRK2 KINASE INHIBITORS LES LABORATOIRES SERVIER (FR) 2021-11-11 WO disclosed