SCHEMBL5281290

SCHEMBL5281290

CCCCc1c(C(C)(C)C)nnn1CC

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.31
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA3 P42263 1/20 0.30
GRIA4 P48058 1/20 0.30
SLC9A1 P19634 2/20 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
SCHEMBL5280937 0.89 GRIA1 (0.32) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5283534 0.88 SLC9A1 (0.34) MAOBGRIA4SLC9A1
SCHEMBL5278440 0.88 SLC9A1 (0.39) MAOBSLC9A1
SCHEMBL5274731 0.86 GABRA2 (0.35) MAOBGRIA1GRIA2GRIA3GRIA4
SCHEMBL5280453 0.85 SLC9A1 (0.42) MAOBSLC9A1
SCHEMBL5277710 0.84 MAOB (0.33) MAOB
SCHEMBL5286391 0.81 GABRA2 (0.30)
SCHEMBL5280566 0.81
SCHEMBL5284199 0.81 SLC9A1 (0.33) GRIA1GRIA2GRIA3GRIA4SLC9A1
SCHEMBL5283265 0.81 SLC9A1 (0.39) SLC9A1

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