SCHEMBL11511567

SCHEMBL11511567

CCOC(N)Cc1cccc(CC(N)OCC)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.46
PNMT P11086 2/20 0.44
SLC6A2 P23975 2/20 0.42
MAOA P21397 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CYP2A6 P11509 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
SLC7A5 Q01650 2/20 0.41
EPHX1 P07099 1/20 0.40
PPARG P37231 1/20 0.36
PPARA Q07869 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
SCHEMBL7774587 0.86 TAAR1 (0.50) TAAR1
SCHEMBL1049748 0.86 EPHX1 (0.58) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL11513417 0.85 TAAR1 (0.43) TAAR1PNMTSLC6A2MAOASLC6A4
SCHEMBL11511513 0.82 TAAR1 (0.41) TAAR1PNMTSLC6A2MAOASLC6A4
SCHEMBL11512652 0.79 TAAR1 (0.53) TAAR1PNMTSLC6A2MAOASLC6A4
SCHEMBL11511250 0.77 TAAR1 (0.40) TAAR1PNMTSLC6A2MAOASLC6A4
SCHEMBL16390151 0.76 TSHR (0.42) TAAR1MAOASLC6A4EPHX1
SCHEMBL14599873 0.76 PRSS1 (0.41) TAAR1PNMTSLC7A5EPHX1
SCHEMBL4392230 0.74 TAAR1 (0.57) TAAR1SLC6A2SLC7A5
SCHEMBL11517459 0.74 TAAR1 (0.38) TAAR1PNMTSLC6A2MAOASLC6A4

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-4171203-A IN COMBINATION WITH A TETRAAMINOPYRIMIDING COUPLER SURFACTANTS AND THICKENERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1979-10-16 US disclosed