SCHEMBL18897641

SCHEMBL18897641

CC(C)N1CCN([C@@H](C)CCCN2CCN(C)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.42
PAOX Q6QHF9 1/20 0.37
DAO P14920 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
SLC6A4 P31645 1/20 0.36
SLC2A1 P11166 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 3/20 0.35
SIGMAR1 Q99720 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL22326393 1.00 MAOB (0.42) MAOBPAOXDAOHRH3SLC6A4
SCHEMBL23919485 0.87 MAOB (0.41) MAOBDAOSLC2A1KDM1ASIGMAR1
SCHEMBL26381190 0.87 PAOX (0.36) PAOXKDM1ASIGMAR1KDM4EMEN1
SCHEMBL20850613 0.86 MAOB (0.40) MAOBDAOHRH3SLC6A4SLC2A1
SCHEMBL24309020 0.86 MAOB (0.40) MAOBDAOHRH3SLC2A1KDM1A
SCHEMBL22337368 0.84 MAOB (0.39) MAOBDAOHRH3SLC2A1KDM1A
SCHEMBL23489955 0.84 MAOB (0.39) MAOBDAOSLC2A1KDM1AMAOA
SCHEMBL23132687 0.84 MC4R (0.36) MAOBDAOHRH3KDM1AKDM4E
SCHEMBL8975798 0.82 MAOB (0.40) MAOBHRH3KDM4EMEN1KMT2A
SCHEMBL25700799 0.82 KDM4E (0.40) PAOXKDM1ASIGMAR1KDM4EMEN1

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
US-9663533-B2 Thieno[3,2-C]pyridin-4(5H)-ones as BET inhibitors GLAXOSMITHKLINE LLC (US) 2017-05-30 US disclosed