SCHEMBL21339722

SCHEMBL21339722

CC1CCC(Cc2ccc(N)c(CC3CCC(C)CC3)c2)CC1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
IDO1 P14902 1/20 0.31
HTR2C P28335 1/20 0.31
MTNR1A P48039 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
BRD4 O60885 1/20 0.30
CCL2 P13500 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL21339723 1.00 SLC6A4 (0.32) SLC6A4SLC6A2SLC6A3IDO1HTR2C
SCHEMBL14996010 0.89
SCHEMBL29398175 0.85 IDO1 (0.32) SLC6A4SLC6A2SLC6A3IDO1
SCHEMBL40067 0.85 IDO1 (0.32) SLC6A4SLC6A2SLC6A3IDO1
SCHEMBL9910784 0.83 ALDH1A1 (0.40) SLC6A4SLC6A2SLC6A3HTR2CMTNR1A
SCHEMBL15826731 0.81 CXCR4 (0.31) MEN1USP2GAAKMT2A
SCHEMBL40610 0.80 CYP3A4 (0.33) MEN1GAAKMT2A
SCHEMBL10943037 0.78 ALDH1A1 (0.36) SLC6A4SLC6A2SLC6A3BRD4
SCHEMBL19919045 0.77 ALDH1A1 (0.38) SLC6A4SLC6A2SLC6A3
SCHEMBL28028910 0.76 TDP1 (0.37) SLC6A4IDO1MEN1GAAKMT2A

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-2019170563-A1 CYCLOALIPHATIC AMINES FOR EPOXY FORMULATIONS: A NOVEL CURING AGENT FOR EPOXY SYSTEMS EVONIK DEGUSSA GMBH (DE) 2019-09-12 WO disclosed