SCHEMBL5675788

SCHEMBL5675788

CC(C)(C)NC(=O)[C@@H]1CNC[C@H]1c1ccc(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MC4R P32245 8/20 0.51
KCNH2 Q12809 2/20 0.49
PRCP P42785 8/20 0.42
MTNR1B P49286 1/20 0.42
HTR2C P28335 2/20 0.40
SSTR4 P31391 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.38
MC5R P33032 1/20 0.38
MC3R P41968 1/20 0.38
MC1R Q01726 1/20 0.38

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
SCHEMBL1920424 0.81 MC4R (0.54) MC4RKCNH2PRCPMTNR1BHTR2C
SCHEMBL12533727 0.81 MC4R (0.54) MC4RKCNH2PRCPMTNR1BHTR2C
SCHEMBL29327388 0.81 MC4R (0.54) MC4RKCNH2PRCPMTNR1BHTR2C
SCHEMBL1921102 0.81 MC4R (0.54) MC4RKCNH2PRCPMTNR1BHTR2C
SCHEMBL29904543 0.80 MC4R (0.56) MC4RKCNH2PRCPMTNR1BHTR2C
SCHEMBL3170784 0.80 MC4R (0.56) MC4RKCNH2PRCPMTNR1BHTR2C
SCHEMBL3160522 0.80 MC4R (0.56) MC4RKCNH2PRCPMTNR1BHTR2C
Hydrochloric Acid SCHEMBL14991520 0.79 MC4R (0.55) MC4RKCNH2PRCPMTNR1BHTR2C
Hydrochloric Acid SCHEMBL1920434 0.76 MC4R (0.51) MC4RKCNH2
SCHEMBL18914539 0.73 MC1R (0.48) MC4RKCNH2PRCPMC1R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615882-A2 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PYRROLIDINE CARBOXYLIC ACIDS Merck & Co., Inc. (US) 2006-01-18 EP disclosed
WO-2004092126-A2 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PYRROLIDINE CARBOXYLIC ACIDS MERCK & CO., INC. (US) 2004-10-28 WO disclosed