SCHEMBL5299375

SCHEMBL5299375

CCc1cc[n+](CC)cc1CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ TERT O14746 1/20 0.32
▸ CA2 P00918 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GABRA1 P14867 2/20 0.31
▸ GABRB2 P47870 2/20 0.31
▸ HTT P42858 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 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
SCHEMBL19458156 0.82 CHRNA7 (0.34) MAOAMAOBGRIN1GRIN2AGRIN2B
SCHEMBL19458284 0.82 CHRNA7 (0.34) MAOAMAOBGRIN1GRIN2AGRIN2B
SCHEMBL5308493 0.82 HTT (0.38) MAOAMAOBGRIN1GRIN2AGRIN2B
SCHEMBL5294865 0.79 MEN1 (0.48) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5305543 0.77 MEN1 (0.33) MAOAMAOBGRIN1GRIN2AGRIN2B
SCHEMBL5300537 0.77 MEN1 (0.57) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5291500 0.76 MEN1 (0.60) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5289539 0.76 MEN1 (0.60) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5300492 0.76 MEN1 (0.60) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5307023 0.76 MEN1 (0.60) MEN1TP53CYP1A2CYP2D6MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 — — WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 — — WO disclosed
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