SCHEMBL11239617

SCHEMBL11239617

COc1ccc(C2(CCCl)OCCCO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ICMT O60725 2/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRND Q07001 1/20 0.35

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
SCHEMBL11250459 0.94 SMN1; SMN2 (0.38) SLC6A4SLC6A3SMN1; SMN2ICMTMAOB
SCHEMBL11239210 0.90 RYR2 (0.35) SLC6A4SLC6A3SMN1; SMN2ICMTMAOB
SCHEMBL1593292 0.84 SMN1; SMN2 (0.36) SMN1; SMN2ICMTMAOBMAOAGRIN1
SCHEMBL11246464 0.83 GRIN1 (0.40) SLC6A4SLC6A3SMN1; SMN2ICMTMAOB
SCHEMBL11237020 0.83 RYR2 (0.36) SMN1; SMN2ICMTMAOBMAOAGRIN1
SCHEMBL11249163 0.82 TSHR (0.44) CYP2C19ALDH1A1CA12CA1CA2
SCHEMBL11234170 0.82 L3MBTL1 (0.33) SLC6A3ICMTMAOBMAOACYP3A4
SCHEMBL11247712 0.82 MAOB (0.37) SLC6A4SLC6A3ICMTMAOBMAOA
SCHEMBL9517524 0.81 MAOB (0.41) SLC6A4SLC6A3SMN1; SMN2MAOBMAOA
SCHEMBL11234430 0.80 SLC6A3 (0.37) SLC6A4SLC6A3ICMTMAOBMAOA

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