SCHEMBL5282328

SCHEMBL5282328

CCCCc1nnn(C)c1CCC

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
GABRB3 P28472 7/20 0.35
MAOA P21397 2/20 0.33
ALDH1A1 P00352 1/20 0.32
HSD11B1 P28845 1/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31

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
SCHEMBL5275440 0.94 MAOB (0.58) MAOBMAOAALDH1A1HSD11B1
SCHEMBL5275616 0.92 MAOB (0.56) MAOBGABRB3MAOAHSD11B1GABRA2
SCHEMBL5277670 0.90 MAOB (0.45) MAOBGABRB3MAOAGABRA2GABRB2
SCHEMBL5277268 0.88 MAOB (0.49) MAOBGABRB3MAOAHSD11B1
SCHEMBL25673612 0.86 MAOB (0.51) MAOBGABRB3MAOAALDH1A1HSD11B1
SCHEMBL5277438 0.84 MAOB (0.56) MAOBGABRB3MAOAHSD11B1GABRA2
SCHEMBL5284348 0.83 MAOB (0.44) MAOBGABRB3MAOAALDH1A1GABRA2
SCHEMBL5286220 0.82 MAOB (0.44) MAOBMAOA
SCHEMBL5278035 0.82 MAOB (0.44) MAOBMAOA
SCHEMBL5277192 0.82 MAOB (0.46) MAOBGABRB3MAOAALDH1A1HSD11B1

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
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed