SCHEMBL29494543

SCHEMBL29494543

CC(=O)Nc1ccc(N(C)C)c(C(=O)N[C@H](C)c2cccc3ccccc23)c1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNB1 Q14721 1/20 0.55
KCNB2 Q92953 1/20 0.55

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
SCHEMBL28405947 0.90 KCNB1 (0.69) KCNB1KCNB2
SCHEMBL29494278 0.88 KCNB1 (0.52) KCNB1KCNB2
SCHEMBL29494197 0.87 MEN1 (0.52)
SCHEMBL1321745 0.87
SCHEMBL29494430 0.86 MEN1 (0.51)
SCHEMBL28404707 0.83 MEN1 (0.53)
SCHEMBL29793667 0.83 MEN1 (0.53)
SCHEMBL29494539 0.83 MEN1 (0.53)
SCHEMBL29494316 0.81 ALDH1A1 (0.57)
SCHEMBL28890744 0.80 ALDH1A1 (0.51)

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
WO-2022070048-A1 NOVEL AMIDE DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2022-04-07 WO disclosed