SCHEMBL11241229

SCHEMBL11241229

Cc1ccc(C2(CCCl)OCC(C)(C)CO2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CHRND Q07001 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.32
ICMT O60725 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 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
SCHEMBL11243462 0.89 CHRNA1 (0.34) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL11231543 0.87 SLC6A4 (0.38) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL11232065 0.85 ICMT (0.35) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL11242731 0.84 L3MBTL1 (0.34) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL11246464 0.83 GRIN1 (0.40) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL11242322 0.83 ICMT (0.35) ICMTLMNA
SCHEMBL11234170 0.81 L3MBTL1 (0.33) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL11239184 0.81 CHRNA1 (0.35) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL11234367 0.78 TSHR (0.40) KMT2AALDH1A1LMNACYP2D6CYP2C9
SCHEMBL3395753 0.76 GRIN1 (0.41) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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