SCHEMBL29494383

SCHEMBL29494383

C[C@@H](NC(=O)c1cc(NC(=O)CN)ccc1N1CCCC1)c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL29494510 0.91 ALDH1A1 (0.46) ALDH1A1NPSR1
SCHEMBL29494221 0.90 KDM4E (0.47) ALDH1A1
SCHEMBL29494316 0.89 ALDH1A1 (0.57) ALDH1A1
SCHEMBL29494518 0.89 — —
SCHEMBL29494571 0.86 — —
SCHEMBL29494231 0.84 — —
SCHEMBL29494371 0.84 MEN1 (0.53) ALDH1A1
SCHEMBL29494206 0.84 — —
SCHEMBL29494377 0.83 — —
SCHEMBL29494286 0.83 — —

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