SCHEMBL7971499

SCHEMBL7971499

Brc1ccc(COc2c[c]ccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.57
APP P05067 1/20 0.50
MAOA P21397 5/20 0.49
SMPD1 P17405 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 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
SCHEMBL95949 0.84 MAOB (0.50) MAOBAPPMAOA
SCHEMBL920100 0.83 MAOB (0.53) MAOBAPPMAOACA12CA1
SCHEMBL921156 0.83 MAOB (0.50) MAOBAPPMAOASMPD1
SCHEMBL920275 0.83 MAOB (0.54) MAOBAPPMAOA
SCHEMBL27810352 0.81 MAOB (0.51) MAOBAPPMAOA
SCHEMBL921127 0.81 APP (0.53) MAOBAPPSMPD1
SCHEMBL920026 0.80 MAOB (0.60) MAOBAPPMAOASMPD1
SCHEMBL921839 0.79 SMN1; SMN2 (0.42) APP
SCHEMBL2901614 0.79 MAOB (0.54) MAOBMAOA
SCHEMBL6154800 0.79 APP (0.54) MAOBAPPRXRARXRB

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-6265408-B1 PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANT SMITHKLINE BEECHAM PLC (GB) 2001-07-24 US disclosed