SCHEMBL3878352

SCHEMBL3878352

NC(=O)n1cc(CCO)c2c[c]ccc21

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 1/20 0.33
HDAC10 Q969S8 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL2847183 0.89 HTR2A (0.35)
SCHEMBL3103739 0.85 AKR1C3 (0.31)
SCHEMBL3942531 0.84 HTR6 (0.45) HDAC10HDAC6
SCHEMBL2841737 0.84 HTR6 (0.36)
SCHEMBL2838884 0.82 HTR2A (0.32)
SCHEMBL15516198 0.76 HTR2A (0.41)
SCHEMBL3116935 0.76 TFPI2 (0.34)
SCHEMBL27736816 0.75 AKR1C3 (0.36)
SCHEMBL627039 0.67 HTR2A (0.57)
Hydrochloric Acid SCHEMBL8648129 0.66 HTR2A (0.55)

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
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