SCHEMBL12706136

SCHEMBL12706136

N[C@@H](Cc1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
DPP4 P27487 3/20 0.42
DPP7 Q9UHL4 1/20 0.42
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FAP Q12884 2/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
MAOB P27338 3/20 0.40
AKR1B1 P15121 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
ACP3 P15309 1/20 0.39
CNR2 P34972 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
SCHEMBL4749134 0.84 SLC6A2 (0.51) IDO1SLC6A2SLC6A4DPP4DPP7
SCHEMBL29049552 0.82 IDO1 (0.55) IDO1SLC6A2SLC6A4DPP4DPP7
SCHEMBL4669556 0.79 IDO1 (0.52) IDO1SLC6A2SLC6A4DPP4DPP7
SCHEMBL3813108 0.79 IDO1 (0.52) IDO1SLC6A2SLC6A4DPP4DPP7
SCHEMBL268390 0.79 IDO1 (0.52) IDO1SLC6A2SLC6A4DPP4DPP7
SCHEMBL11662073 0.79 HTR2C (0.42) IDO1SLC6A4ALDH1A1POLBTDP1
SCHEMBL4708284 0.78 IDO1 (0.50) IDO1SLC6A2SLC6A4DPP4DPP7
SCHEMBL15827644 0.78 IDO1 (0.50) IDO1SLC6A2SLC6A4DPP4DPP7
SCHEMBL1729214 0.77 MC4R (0.42) IDO1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL29558149 0.77 ACP3 (0.45) IDO1SLC6A4ALDH1A1POLBTDP1

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-2311846-A1 CHIRAL IRIDIUM AQUA COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE HYDROXY COMPOUND USING THE SAME Sumitomo Chemical Company, Limited (JP) 2011-04-20 EP disclosed