SCHEMBL6744599

SCHEMBL6744599

COc1ccc(Br)cc1CSc1nc2ccccc2cc1C1=NCCCN1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MC4R P32245 5/20 0.49
KCNH2 Q12809 1/20 0.49
NISCH Q9Y2I1 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.35

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
SCHEMBL4818149 0.87 MC4R (0.46) MC4RKCNH2NISCH
SCHEMBL4824056 0.85 MC4R (0.44) MC4RKCNH2NISCH
SCHEMBL4064122 0.85 MC4R (0.56) MC4RKCNH2NISCH
SCHEMBL4362042 0.85 MC4R (0.52) MC4RKCNH2
SCHEMBL4147932 0.81 MC4R (0.53) MC4RKCNH2
SCHEMBL4364683 0.81 MC4R (0.49) MC4RKCNH2NISCHPTGDR2
SCHEMBL4367598 0.80 MC4R (0.54) MC4RKCNH2
SCHEMBL4540122 0.79 MC4R (0.46) MC4RKCNH2
SCHEMBL4008428 0.79 MC4R (0.63) MC4RKCNH2NISCH
SCHEMBL4364676 0.78 MC4R (0.65) MC4RKCNH2

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
US-6699873-B1 EATING DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2004-03-02 US disclosed