SCHEMBL6445552

SCHEMBL6445552

OCC1CC1(F)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.65
HTR2C P28335 9/20 0.65
HTR2A P28223 7/20 0.65
HTR2B P41595 6/20 0.65
MAOA P21397 3/20 0.55
KDM1A O60341 1/20 0.39

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
SCHEMBL13742241 0.80 HTR2C (0.96) MAOBHTR2CHTR2AHTR2BMAOA
Hydrochloric Acid SCHEMBL6427590 0.78 HTR2C (1.00) MAOBHTR2CHTR2AHTR2BMAOA
SCHEMBL20747663 0.75 PTGS2 (0.41) MAOBHTR2CHTR2AHTR2BMAOA
SCHEMBL21834929 0.75 PTGS2 (0.41) MAOBHTR2CHTR2AHTR2BMAOA
SCHEMBL2119239 0.72 OPRK1 (0.55) MAOBHTR2CHTR2AHTR2BMAOA
SCHEMBL9950472 0.72 OPRK1 (0.55) MAOBHTR2CHTR2AHTR2BMAOA
SCHEMBL11086077 0.72 OPRK1 (0.55) MAOBHTR2CHTR2AHTR2BMAOA
SCHEMBL6425606 0.72 MAOB (1.00) MAOBHTR2CHTR2AHTR2BMAOA
SCHEMBL16019175 0.72 MAOB (1.00) MAOBHTR2CHTR2AHTR2BMAOA
SCHEMBL15542348 0.72 MAOB (1.00) MAOBHTR2CHTR2AHTR2BMAOA

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