SCHEMBL3880906

SCHEMBL3880906

NC(=O)C1c2cc[c]cc2CCN1O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL4748761 0.84 MAOA (0.32)
Hydrochloric Acid SCHEMBL4521946 0.83 MAOA (0.31)
SCHEMBL3873900 0.82 SIRT1 (0.40)
SCHEMBL4503987 0.80 F11 (0.40)
SCHEMBL6962527 0.79 ACE (0.40)
SCHEMBL4514757 0.79 OPRK1 (0.32)
SCHEMBL6962545 0.79 MEN1 (0.41)
SCHEMBL6967292 0.78 KEAP1 (0.38)
Hydrochloric Acid SCHEMBL4504167 0.78 OPRK1 (0.32)
SCHEMBL8473067 0.78

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009135925-A1 SUBSTITUTED N-IMIDAZO[2,1-B]THIAZOLE-5-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-11-12 WO claimed
EP-2116547-A1 Substituted N-imidazo(2, 1-b) thiazole-5-sulfonamide derivatives as 5-TH6 ligands Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-11-11 EP claimed
EP-2116547-A1 Substituted N-imidazo(2, 1-b) thiazole-5-sulfonamide derivatives as 5-TH6 ligands Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-11-11 EP disclosed