SCHEMBL4414806

SCHEMBL4414806

COc1ccccc1C(CC=O)(c1ccccc1OC)N1CCC(C(=O)N2CCN(C(C)(C)C)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL4565802 0.82 KDM2B (0.36) —
SCHEMBL4565895 0.79 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1HRH3KDM4E
SCHEMBL2792194 0.73 MEN1 (0.47) KMT2AMEN1ALDH1A1GAAHRH3
SCHEMBL25143661 0.71 ALDH1A1 (0.52) ALDH1A1LMNAHTTHRH3
SCHEMBL4416910 0.69 TSHR (0.44) KMT2AMEN1ALDH1A1HRH3
SCHEMBL2793856 0.68 KMT2A (0.71) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL21569623 0.68 ALDH1A1 (0.68) KMT2AMEN1ALDH1A1LMNAMAPK1
SCHEMBL4414919 0.67 OPRD1 (0.35) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL4418076 0.67 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL10131854 0.66 HPGD (0.54) ALDH1A1LMNAHTTHRH3TDP1

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-2061780-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2009-05-27 — — EP claimed
WO-2008031227-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-03-20 — — WO claimed
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