SCHEMBL5283823

SCHEMBL5283823

CCCCc1nnn(C(C)C)c1CCC

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.34
GABRB3 P28472 3/20 0.33
MAOA P21397 2/20 0.32
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL5278793 0.94 MAOB (0.38) MAOBMAOA
SCHEMBL5286592 0.93 MAOB (0.37) MAOBGABRB3MAOA
SCHEMBL5276085 0.91 MAOB (0.33) MAOBGABRB3MAOA
SCHEMBL5274900 0.90 GABRB3 (0.39) GABRB3MAOAALDH1A1
SCHEMBL5279807 0.88 MAOB (0.32) MAOB
SCHEMBL23694373 0.87 HDAC8 (0.33) MAOBGABRB3MAOA
SCHEMBL5274867 0.85 MAOB (0.37) MAOBGABRB3MAOA
SCHEMBL5282618 0.85 MAOB (0.31) MAOB
SCHEMBL5278231 0.85 GABRB3 (0.40) GABRB3
SCHEMBL5279446 0.83 GABRB3 (0.39) GABRB3

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