SCHEMBL7313754

SCHEMBL7313754

O=C1CCc2ccc(OCc3nnnn3Cc3ccccc3)cc2N1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOB P27338 18/20 0.65
MAOA P21397 17/20 0.65
DRD2 P14416 2/20 0.46
HTR6 P50406 1/20 0.46

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
SCHEMBL7310807 0.90 MAOB (0.69) MAOBMAOADRD2HTR6
SCHEMBL7309846 0.82 MAOA (0.69) MAOBMAOADRD2HTR6
SCHEMBL31414465 0.80 MAOB (1.00) MAOBMAOA
SCHEMBL6721655 0.80 MAOB (1.00) MAOBMAOA
SCHEMBL7311963 0.79 MAOA (0.53) MAOBMAOADRD2
SCHEMBL7306995 0.75 MAOB (0.64) MAOBMAOADRD2
SCHEMBL7306333 0.73 ALDH1A1 (0.49) MAOB
SCHEMBL15413967 0.73 MAOB (0.85) MAOBMAOA
SCHEMBL7318395 0.73 KDM4C (0.44)
SCHEMBL16048700 0.73 MAOB (1.00) MAOBMAOADRD2HTR6

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-4277479-A ANTI-ASTHMATIC, HYPOTENSIVE, ANTI-ULCER, ANTIINFLAMMATORY, VASODILATION, ENZYME INHIBITORS, ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-07-07 US disclosed