SCHEMBL5250217

SCHEMBL5250217

CCOC1CN([C@H](c2ccc(Cl)cc2)c2ccc(C#N)cc2)CC1NC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.40
CCR5 P51681 3/20 0.39
GCGR P47871 1/20 0.39
RORC P51449 3/20 0.38
PRLHR P49683 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
SLC6A5 Q9Y345 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
SLC6A9 P48067 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
CCR2 P41597 2/20 0.36
EPHX2 P34913 2/20 0.36

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
SCHEMBL2518090 1.00 UTS2R (0.40) UTS2RCCR5GCGRRORCPRLHR
SCHEMBL5250135 0.94 TP53 (0.41) LMNATP53SLC6A5CYP2D6CYP2C9
SCHEMBL2517186 0.94 TP53 (0.41) LMNATP53SLC6A5CYP2D6CYP2C9
SCHEMBL2516227 0.94 TP53 (0.41) LMNATP53SLC6A5CYP2D6CYP2C9
SCHEMBL5252394 0.94 TP53 (0.41) LMNATP53SLC6A5CYP2D6CYP2C9
SCHEMBL5255954 0.91 GCGR (0.41) GCGRLMNATP53SLC6A5CYP2D6
SCHEMBL2515824 0.91 GCGR (0.41) GCGRLMNATP53SLC6A5CYP2D6
SCHEMBL2519249 0.91 UTS2R (0.39) UTS2RCCR5GCGRRORCPRLHR
SCHEMBL5250752 0.91 UTS2R (0.39) UTS2RCCR5GCGRRORCPRLHR
SCHEMBL2516248 0.87 TP53 (0.44) LMNATP53SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748980-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2007-02-07 EP claimed
WO-2005115977-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2005-12-08 WO claimed
EP-1748980-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2007-02-07 EP disclosed
WO-2005115977-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2005-12-08 WO disclosed