SCHEMBL11235482

SCHEMBL11235482

CC1COC(CCCCCl)(c2ccc(Cl)cc2)O1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 2/20 0.36
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
CHRNA1 P02708 2/20 0.34
CHRNG P07510 2/20 0.34
CHRNB1 P11230 2/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRND Q07001 2/20 0.34
ABCB11 O95342 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 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
SCHEMBL11247440 0.90 HSP90AA1 (0.35) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL11245526 0.90 HMOX1 (0.38) HMOX1SLC6A2SLC6A4SLC6A3CHRNA1
SCHEMBL11241770 0.89 GRIN1 (0.39)
SCHEMBL11242089 0.87 CHRNA1 (0.35) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL11234350 0.86 HMOX1 (0.36) HMOX1SLC6A2SLC6A4SLC6A3CHRNA1
SCHEMBL2082286 0.82 GRIN1 (0.41) HMOX1SLC6A2SLC6A4SLC6A3CHRNA1
SCHEMBL11256266 0.80 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL11251340 0.79 HSP90AA1 (0.37) HMOX1SLC6A2SLC6A4SLC6A3CHRNA1
SCHEMBL28604802 0.79 CHRNA1 (0.37) HMOX1SLC6A2SLC6A4SLC6A3CHRNA1
SCHEMBL28604796 0.79 CHRNA1 (0.37) HMOX1SLC6A2SLC6A4SLC6A3CHRNA1

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