SCHEMBL29793705

SCHEMBL29793705

CC(C)C(=O)Nc1ccc(N(C)C)c(C(=O)N[C@H](C)c2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNB1 Q14721 12/20 1.00
▸ KCNB2 Q92953 1/20 1.00
▸ KCNH2 Q12809 5/20 0.59
▸ KCNA5 P22460 5/20 0.53
▸ KCNK2 O95069 2/20 0.52
▸ ALDH1A1 P00352 4/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ NR1H4 Q96RI1 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL28402250 0.91 KCNB1 (0.83) KCNB1KCNB2KCNH2KCNA5KCNK2
SCHEMBL28413523 0.85 KCNB1 (0.73) KCNB1KCNB2KCNH2KCNA5KCNK2
SCHEMBL28413244 0.83 KCNB1 (0.71) KCNB1KCNB2KCNH2KCNA5KCNK2
SCHEMBL16583815 0.82 KCNB1 (0.69) KCNB1KCNB2HPGDLMNAPOLB
SCHEMBL28405947 0.82 KCNB1 (0.69) KCNB1KCNB2KCNH2
SCHEMBL28410953 0.81 KCNB1 (0.68) KCNB1KCNB2KCNH2KCNA5KCNK2
SCHEMBL28257357 0.80 KCNB1 (0.76) KCNB1KCNB2KCNH2KCNA5KCNK2
SCHEMBL29793887 0.80 KCNB1 (0.66) KCNB1KCNB2ALDH1A1KDM4EHPGD
SCHEMBL28257362 0.80 KCNB1 (0.66) KCNB1KCNB2ALDH1A1KDM4EHPGD
SCHEMBL28413196 0.80 KCNB1 (0.66) KCNB1KCNB2KCNH2ALDH1A1KDM4E

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
CN-108929263-B Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-07-22 — — CN disclosed
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