SCHEMBL11728641

SCHEMBL11728641

CCN(CC(C)NC)c1ccccc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ESR1 P03372 1/20 0.40
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
SLC18A2 Q05940 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MC4R P32245 1/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL11133752 0.81 CA1 (0.50) SLC6A2SLC6A4ESR1GAAMAPT
Nitrogen SCHEMBL4600860 0.78 ESR1 (0.46) SLC6A2SLC6A4ESR1GAAMAPT
SCHEMBL11728645 0.76 HTR7 (0.46) SLC6A4ESR1MAPTCA12CA1
SCHEMBL11231848 0.75 TSHR (0.48) MAPTTAAR1SLC18A2SIGMAR1
SCHEMBL11456399 0.72 ESR1 (0.42) ESR1GAAMAPTCA12CA1
SCHEMBL5604874 0.72 ESR1 (0.46) SLC6A2SLC6A4ESR1GAAMAPT
SCHEMBL8593108 0.71 ESR1 (0.48) SLC6A2SLC6A4ESR1CA12CA1
SCHEMBL10690592 0.71 CA12 (0.46) ESR1CA12CA1CA2CA4
SCHEMBL1132936 0.70 ALDH1A1 (0.37) SLC6A2SLC6A4GAACA12CA1
SCHEMBL7734439 0.69 TSHR (0.33) ALDH1A1

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-4002631-A HEAT-SENSITIVE COLOR FORMERS HODOGAYA CHEMICAL CO., LTD. (JA) 1977-01-11 US disclosed