SCHEMBL29484591

SCHEMBL29484591

O=C(c1cccc(-c2nc3ccccc3[nH]2)n1)N1CCC(c2nc3ccccc3[nH]2)CC1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LANCL2 Q9NS86 1/20 0.77
HTR2B P41595 14/20 0.61

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
SCHEMBL25310510 1.00 LANCL2 (0.77) LANCL2HTR2B
SCHEMBL29063415 0.89 LANCL2 (0.84) LANCL2HTR2B
Omilancor SCHEMBL29349469 0.88 LANCL2 (1.00) LANCL2HTR2B
Omilancor SCHEMBL17706588 0.88 LANCL2 (1.00) LANCL2HTR2B
SCHEMBL29466269 0.87 LANCL2 (0.80) LANCL2HTR2B
SCHEMBL25311793 0.87 LANCL2 (0.80) LANCL2HTR2B
SCHEMBL17705594 0.84 LANCL2 (0.88) LANCL2HTR2B
SCHEMBL18805072 0.84 LANCL2 (0.88) LANCL2HTR2B
SCHEMBL21043129 0.84 LANCL2 (0.93) LANCL2HTR2B
SCHEMBL30471209 0.83 LANCL2 (0.59) LANCL2HTR2B

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-2022057932-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-03-24 WO disclosed
WO-2022057928-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-03-24 WO disclosed