SCHEMBL11242387

SCHEMBL11242387

CC1OC(CCCl)(c2ccc(Cl)cc2)OC1C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.34
SLC6A4 P31645 6/20 0.34
SLC6A2 P23975 4/20 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
SOAT1 P35610 3/20 0.34
CCR2 P41597 1/20 0.33
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
KDM1A O60341 1/20 0.32
CHRNA7 P36544 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
SCHEMBL11256266 0.88 SLC6A2 (0.32) SLC6A3SLC6A4SLC6A2CHRNA1CHRNG
SCHEMBL11243234 0.87 SOAT1 (0.33) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL11239752 0.85 SOAT1 (0.44) SOAT1
SCHEMBL11238469 0.83 POLB (0.33) SOAT1
SCHEMBL11236878 0.83 SOAT1 (0.37) SLC6A3SLC6A4CHRNA1CHRNGCHRNB1
SCHEMBL11230749 0.81 MAOA (0.33) SLC6A3SLC6A4SLC6A2CHRNA1CHRNG
SCHEMBL11245526 0.78 HMOX1 (0.38) SLC6A3SLC6A4SLC6A2CHRNA1CHRNG
SCHEMBL11234440 0.78 MEN1 (0.39) SOAT1
SCHEMBL11253974 0.76
SCHEMBL11234154 0.76 SLC6A4 (0.35) SLC6A3SLC6A4SLC6A2CHRNA1CHRNG

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