SCHEMBL5281447

SCHEMBL5281447

CCCCc1nnn(C)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
GABRA2 P47869 6/20 0.35
GABRB2 P47870 6/20 0.35
GABRB3 P28472 9/20 0.33
HSD11B1 P28845 1/20 0.30
MLYCD O95822 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
SCHEMBL5277779 0.89 GABRB3 (0.40) MAOBGABRA2GABRB2GABRB3
SCHEMBL5282321 0.86 MAOB (0.38) MAOBGABRA2GABRB2MLYCD
SCHEMBL5274413 0.84 MAOB (0.40) MAOB
SCHEMBL5284605 0.83 SLC9A1 (0.38) MAOBGABRA2GABRB2GABRB3
SCHEMBL5276143 0.83 SLC9A1 (0.33) MAOBGABRA2GABRB2GABRB3
SCHEMBL5278020 0.82 MAOB (0.46) MAOB
SCHEMBL5279494 0.81 GABRB3 (0.37) GABRA2GABRB2GABRB3
SCHEMBL5274651 0.81 GABRA2 (0.34) MAOBGABRA2GABRB2GABRB3
SCHEMBL5276402 0.80 SLC9A1 (0.41) MAOBGABRA2GABRB2
SCHEMBL5279160 0.79 MAOB (0.38) MAOB

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