SCHEMBL11512652

SCHEMBL11512652

COC(N)Cc1cccc(CC(N)OC)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.53
PNMT P11086 1/20 0.47
SLC7A5 Q01650 2/20 0.46
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
MAOA P21397 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CYP2A6 P11509 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
EPHX1 P07099 1/20 0.43

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
SCHEMBL6959087 0.87 IDO1 (0.50) TAAR1PNMTMAOASIGMAR1
SCHEMBL151945 0.87 TAAR1 (0.74) TAAR1SIGMAR1
Bromide SCHEMBL778335 0.85 IDO1 (0.49) TAAR1PNMTMAOASIGMAR1
SCHEMBL4950924 0.84 EPHX1 (0.62) TAAR1SLC7A5SLC6A2SLC6A4MAOA
SCHEMBL4950704 0.84 EPHX1 (0.62) TAAR1SLC7A5SLC6A2SLC6A4MAOA
SCHEMBL479459 0.84 EPHX1 (0.62) TAAR1SLC7A5SLC6A2SLC6A4MAOA
Hydrochloric Acid SCHEMBL28001158 0.83 EPHX1 (0.60) TAAR1SLC7A5SLC6A2SLC6A4MAOA
Iodide SCHEMBL28946993 0.83 EPHX1 (0.60) TAAR1SLC7A5SLC6A2SLC6A4MAOA
SCHEMBL27595887 0.82 HTR2A (0.71) TAAR1SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL11511567 0.79 TAAR1 (0.46) TAAR1PNMTSLC7A5SLC6A2SLC6A4

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