SCHEMBL1920459

SCHEMBL1920459

CCN1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)O)C1C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MC4R P32245 19/20 0.45
MC5R P33032 6/20 0.44
MC1R Q01726 5/20 0.41
KCNH2 Q12809 2/20 0.41
MC3R P41968 3/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL1920169 0.85 MC1R (0.47) MC4RMC5RMC1RKCNH2MC3R
SCHEMBL1920759 0.83 MC4R (0.45) MC4RMC5RMC1RKCNH2MC3R
SCHEMBL1920256 0.80 MC4R (0.48) MC4RMC5RMC1RKCNH2MC3R
SCHEMBL1920885 0.80 MC4R (0.48) MC4RMC5RMC1RKCNH2MC3R
SCHEMBL3170726 0.75 MC4R (0.61) MC4RMC5RMC1RKCNH2MC3R
SCHEMBL3170723 0.75 MC4R (0.61) MC4RMC5RMC1RKCNH2MC3R
Hydrochloric Acid SCHEMBL3170453 0.74 MC4R (0.63) MC4RMC5RMC1RKCNH2MC3R
Hydrochloric Acid SCHEMBL1920194 0.74 MC4R (0.63) MC4RMC5RMC1RKCNH2MC3R
SCHEMBL2307986 0.72 PANK3 (0.42) MC4RMC5RKCNH2MC3R
SCHEMBL1919958 0.72 MC4R (0.40) MC4RMC5RMC1RKCNH2MC3R

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-1716135-B1 PIPERIDINYLCARBONYL-PYRROLIDINES AND THEIR USE AS MELANOCORTIN AGONISTS PFIZER LTD (GB) 2011-06-01 EP disclosed