SCHEMBL11439870

SCHEMBL11439870

Cc1nccn1CCC=Cc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.39
▸ POLB P06746 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PTGS2 P35354 2/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ DRD2 P14416 1/20 0.34

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
SCHEMBL11147547 0.89 BTK (0.40) POLBALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL11446079 0.88 KCNH2 (0.43) KCNH2POLBALDH1A1KMT2ALMNA
SCHEMBL11148240 0.76 OPRD1 (0.42) POLBALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL11148698 0.76 KCNH2 (0.40) KCNH2KMT2ALMNASMN1; SMN2
SCHEMBL11148693 0.76 KCNH2 (0.40) KCNH2KMT2ALMNASMN1; SMN2
SCHEMBL11149274 0.76 POLB (0.43) KCNH2POLBKMT2ALMNAL3MBTL1
SCHEMBL11247290 0.74 NPSR1 (0.55) KCNH2POLBALDH1A1KMT2ALMNA
SCHEMBL11439872 0.74 KCNH2 (0.43) KCNH2ALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL11248409 0.73 ALDH1A1 (0.54) KCNH2POLBALDH1A1KMT2AL3MBTL1
SCHEMBL11151507 0.73 KMT2A (0.44) KCNH2POLBALDH1A1KMT2ASMN1; SMN2

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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