SCHEMBL11440302

SCHEMBL11440302

CN(C)CCCc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.53
▸ BCL2L1 Q07817 1/20 0.50
▸ AOC3 Q16853 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KCNH2 Q12809 3/20 0.45
▸ AGER Q15109 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44

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
SCHEMBL11446123 0.95 KCNH2 (0.51) HRH3BCL2L1AOC3L3MBTL1ALDH1A1
SCHEMBL554550 0.89 AOC3 (0.59) HRH3BCL2L1AOC3L3MBTL1TSHR
SCHEMBL2277966 0.83 SIGMAR1 (0.62) HRH3BCL2L1AOC3L3MBTL1TSHR
SCHEMBL11387795 0.79 BCL2L1 (0.50) BCL2L1AOC3L3MBTL1TSHRKCNH2
SCHEMBL11497165 0.79 KCNH2 (0.68) KCNH2AGER
SCHEMBL9670561 0.79 SIGMAR1 (0.64) HRH3AOC3KCNH2SIGMAR1SLC6A2
SCHEMBL27629480 0.79 KCNH2 (0.58) HRH3ALDH1A1KCNH2SLC6A2HTR2A
SCHEMBL12418966 0.79 PPARA (0.45) L3MBTL1ALDH1A1
SCHEMBL11458154 0.78 AOC3 (0.61) HRH3AOC3ALDH1A1KCNH2SIGMAR1
SCHEMBL14528082 0.77 FDPS (0.62) BCL2L1AOC3KCNH2SIGMAR1HTR2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0009683-A1 Basic phenyl ethers, pharmaceutical compositions containing them and the preparation of these ethers and compositions MERCK PATENT GmbH (DE) 1980-04-16 — — EP disclosed
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