SCHEMBL11446123

SCHEMBL11446123

CN(C)CCCCc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 5/20 0.51
▸ HRH3 Q9Y5N1 2/20 0.51
▸ SIGMAR1 Q99720 1/20 0.51
▸ BCL2L1 Q07817 1/20 0.49
▸ AOC3 Q16853 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ IGF1R P08069 1/20 0.45
▸ ALOX15 P16050 1/20 0.45

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
SCHEMBL11440302 0.95 HRH3 (0.53) KCNH2HRH3SIGMAR1BCL2L1AOC3
SCHEMBL2277966 0.89 SIGMAR1 (0.62) KCNH2HRH3SIGMAR1BCL2L1AOC3
SCHEMBL11497165 0.84 KCNH2 (0.68) KCNH2
SCHEMBL554550 0.84 AOC3 (0.59) KCNH2HRH3SIGMAR1BCL2L1AOC3
SCHEMBL27629480 0.81 KCNH2 (0.58) KCNH2HRH3ALDH1A1IGF1RALOX15
SCHEMBL9671267 0.80 SIGMAR1 (0.75) KCNH2HRH3SIGMAR1ALDH1A1TSHR
SCHEMBL11131252 0.79 AOC3 (0.59) KCNH2HRH3SIGMAR1AOC3L3MBTL1
SCHEMBL9670726 0.78 SIGMAR1 (0.79) KCNH2HRH3SIGMAR1ALDH1A1TSHR
SCHEMBL9670507 0.78 SIGMAR1 (0.79) KCNH2HRH3SIGMAR1ALDH1A1TSHR
SCHEMBL5545290 0.77 IGF1R (0.49) KCNH2IGF1RALOX15

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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