SCHEMBL5277997

SCHEMBL5277997

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

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.31
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
MAOA P21397 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
SCHEMBL5282299 0.90 GABRB3 (0.35) GABRA2GABRB2MAOA
SCHEMBL5276951 0.89 SLC9A1 (0.36) MLYCD
SCHEMBL5276833 0.89 SLC9A1 (0.32) MLYCD
SCHEMBL5274651 0.87 GABRA2 (0.34) GABRA2GABRB2MAOA
SCHEMBL5282528 0.86 SLC9A1 (0.39)
SCHEMBL5279051 0.83 MAOA (0.33) MAOA
SCHEMBL5273778 0.83 GABRB3 (0.32) GABRA2GABRB2
SCHEMBL5277983 0.83 SLC9A1 (0.36) GABRA2GABRB2
SCHEMBL5282321 0.82 MAOB (0.38) MLYCDGABRA2GABRB2
SCHEMBL5276117 0.80 SLC9A1 (0.39) GABRA2GABRB2

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