SCHEMBL7936463

SCHEMBL7936463

CC1CC(=O)C[C@H](C)c2c(Br)cccc2C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
ACHE P22303 1/20 0.36
PDE7A Q13946 2/20 0.32
PDE7B Q9NP56 1/20 0.32
MAOA P21397 2/20 0.31
MAOB P27338 2/20 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
SCHEMBL7928973 0.85 CYP1A2 (0.38) BRD4CREBBPACHEPDE7APDE7B
SCHEMBL30422252 0.72 BRD4 (0.39) BRD4CREBBP
SCHEMBL13360866 0.72 BRD4 (0.39) BRD4CREBBP
SCHEMBL2480306 0.72 ACHE (0.41) BRD4ACHE
SCHEMBL4650091 0.69 HTR2C (0.38)
SCHEMBL13198514 0.68 PDE7A (0.39) PDE7APDE7B
SCHEMBL29428654 0.68 PDE7A (0.39) PDE7APDE7B
SCHEMBL22368668 0.67 ALDH1A1 (0.33) BRD4PDE7A
SCHEMBL5951495 0.67 ACHE (0.52) BRD4CREBBPACHEMAOAMAOB
SCHEMBL12205326 0.67 ACHE (0.36) ACHE

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
WO-2010028213-A2 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 2010-03-11 WO disclosed