SCHEMBL28013145

SCHEMBL28013145

OCc1cccc(-c2cccc3c2Cc2ccccc2-3)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.45
PRKCI P41743 1/20 0.42
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDR P35968 1/20 0.39
CNR2 P34972 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
ACMSD Q8TDX5 1/20 0.37
PRKDC P78527 1/20 0.37
PRCP P42785 1/20 0.36
APP P05067 1/20 0.36
SNCA P37840 1/20 0.36
FYN P06241 1/20 0.36

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
SCHEMBL29216754 0.85 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL27816253 0.84 PNMT (0.45) PNMTNPC1RAB9AKDRHTR7
SCHEMBL27858386 0.84 PNMT (0.45) PNMTNPC1RAB9AKDRHTR7
SCHEMBL27835839 0.84 PNMT (0.57) PNMTNPC1RAB9AKDRHTR7
SCHEMBL28851607 0.83 PNMT (0.52) PNMTNPC1RAB9AKDRHTR7
SCHEMBL28484499 0.82 PLA2G10 (0.48) NPC1RAB9A
SCHEMBL29401802 0.81 PNMT (0.53) PNMTNPC1RAB9AKDRHTR7
SCHEMBL70992 0.81 PNMT (0.53) PNMTNPC1RAB9AKDRHTR7
SCHEMBL29809707 0.81 PNMT (0.53) PNMTNPC1RAB9AKDRHTR7
SCHEMBL29216756 0.81 PNMT (0.45) PNMTNPC1RAB9AKDRHTR7

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
CN-102510890-B Materials For Electronic Devices MERCK PATENT GMBH 2015-06-17 CN disclosed