SCHEMBL11234170

SCHEMBL11234170

Cc1ccc(C2(CCCl)OCCCO2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
ICMT O60725 2/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
OPRM1 P35372 1/20 0.32
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31
CHRNB4 P30926 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
SCHEMBL11242731 0.93 L3MBTL1 (0.34) L3MBTL1ICMTLMNAALDH1A1CYP3A4
SCHEMBL11244126 0.89 L3MBTL1 (0.31) L3MBTL1
SCHEMBL11234430 0.84 SLC6A3 (0.37) ICMTALDH1A1CHRNA1CHRNGCHRNB1
SCHEMBL4613107 0.83 L3MBTL1 (0.33) L3MBTL1LMNACHRNA1CHRNGCHRNB1
SCHEMBL11252318 0.82 MAPK1 (0.40) L3MBTL1ICMTHTR1ATSHR
SCHEMBL11239617 0.82 SLC6A4 (0.37) ICMTALDH1A1CYP3A4CYP2C19OPRM1
SCHEMBL11237330 0.82 KCNH2 (0.41) ICMTALDH1A1HTTTSHRKMT2A
SCHEMBL11241229 0.81 CHRNA1 (0.36) L3MBTL1ICMTLMNAALDH1A1CYP3A4
SCHEMBL11241311 0.81 L3MBTL1 (0.32) L3MBTL1LMNACHRNA1CHRNGCHRNB1
SCHEMBL11243674 0.80 MAOB (0.33) L3MBTL1LMNAMAOBMAOA

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