SCHEMBL11248890

SCHEMBL11248890

CC1(C)COC(CCCCCl)(c2ccc(Cl)cc2)OC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
CHRNA1 P02708 2/20 0.35
CHRNG P07510 2/20 0.35
CHRNB1 P11230 2/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRND Q07001 2/20 0.35
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
ALDH1A1 P00352 1/20 0.32
UTS2R Q9UKP6 1/20 0.31

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
SCHEMBL11231543 0.89 SLC6A4 (0.38) ABCB11LMNAMAPTMAPK1SLC6A2
SCHEMBL11243462 0.88 CHRNA1 (0.34) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL11231723 0.86 GRIN1 (0.37) MAPTMAPK1SLC6A2SLC6A3CHRNB2
SCHEMBL11243351 0.85 CHRNA1 (0.35) ABCB11LMNAMAPTMAPK1SLC6A2
SCHEMBL11244135 0.84 GRIN1 (0.44) ABCB11LMNAMAPTMAPK1CHRNA1
SCHEMBL11242024 0.84 SLC6A4 (0.33) ABCB11LMNAMAPTMAPK1SLC6A2
SCHEMBL3395753 0.82 GRIN1 (0.41) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL11246022 0.81 SLC6A4 (0.34) ABCB11LMNAMAPTMAPK1SLC6A2
SCHEMBL10976001 0.81 GRIN1 (0.37) MAPTMAPK1SLC6A2SLC6A3CHRNB2
SCHEMBL3394435 0.79 ICMT (0.32) GRIN1GRIN2B

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
EP-0049565-A2 Derivatives of substituted N-alkylimidazoles, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
US-4321272-A Derivatives of substituted N-alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-03-23 US disclosed