SCHEMBL14492003

SCHEMBL14492003

CCn1nnn(C(C)(C)C)c1=O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4380039 0.78 F2 (0.38) ALDH1A1
SCHEMBL26935031 0.74
SCHEMBL13208008 0.70
SCHEMBL17548784 0.70 NFE2L2 (0.33)
SCHEMBL4543421 0.68 ALDH1A1 (0.38) ALDH1A1
SCHEMBL3211868 0.68 NPC1 (0.31)
SCHEMBL14492037 0.68 BRD9 (0.31)
SCHEMBL6122876 0.65 MAPT (0.32)
SCHEMBL9034982 0.65
SCHEMBL6122858 0.65 OPRM1 (0.30)

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
EP-1263738-B1 SUBSTITUTED BENZOYLCYCLOHEXENONES BAYER CROPSCIENCE AG (DE) 2007-06-27 EP disclosed
US-7160886-B2 Acylated piperazine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2007-01-09 US disclosed
US-7160886-B2 Acylated piperazine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2007-01-09 US disclosed