SCHEMBL6426369

SCHEMBL6426369

FC1(c2ccccc2)[CH]C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.46
MAOA P21397 4/20 0.46
HDAC4 P56524 1/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
OPRM1 P35372 2/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
PNMT P11086 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
SCHEMBL3665401 0.74 MAOA (0.50) MAOBMAOAHDAC4OPRL1
SCHEMBL5715764 0.72 MAOB (0.38) MAOBMAOAHDAC4HTR2AHTR2C
SCHEMBL28919330 0.71 MAOB (0.36) MAOBMAOAHDAC4HTR2AHTR2C
SCHEMBL4599737 0.71 OPRM1 (0.40) MAOBMAOAHDAC4OPRM1OPRK1
SCHEMBL8147277 0.69 MAOB (0.35) MAOBMAOAHDAC4HTR2AHTR2C
SCHEMBL19717526 0.69 MAOB (0.62) MAOBMAOAHTR2AHTR2CHTR2B
SCHEMBL19992871 0.69 MAOB (0.48) MAOBMAOAOPRM1OPRK1OPRL1
SCHEMBL15103023 0.68 MAOB (0.38) MAOBMAOAHTR2AHTR2CHTR2B
SCHEMBL13562892 0.67 MAOB (0.48) MAOBMAOAHTR2AHTR2CHTR2B
SCHEMBL1610186 0.67 OPRM1 (0.42) MAOBMAOAHDAC4OPRM1OPRK1

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-2005007614-A1 MONOAMINE OXIDASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 6011 (US) 2005-01-27 WO disclosed