SCHEMBL5250752

SCHEMBL5250752

COC1CN([C@H](c2ccc(Cl)cc2)c2ccc(C#N)cc2)CC1NC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
EPHX2 P34913 1/20 0.37
PRLHR P49683 2/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
SLC6A9 P48067 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
TRPA1 O75762 1/20 0.36
RORC P51449 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CHRNA7 P36544 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
CCR5 P51681 1/20 0.36
MGLL Q99685 1/20 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
SCHEMBL2519249 1.00 UTS2R (0.39) UTS2RTRPM8EPHX2PRLHRCYP2D6
SCHEMBL2517127 0.94 EPHX2 (0.41) EPHX2CYP2D6CYP2C9SLC6A9SLC6A5
SCHEMBL5255473 0.94 EPHX2 (0.41) EPHX2CYP2D6CYP2C9SLC6A9SLC6A5
SCHEMBL5257227 0.91 LIPE (0.42) EPHX2CYP2D6CYP2C9SLC6A9SLC6A5
SCHEMBL2514408 0.91 LIPE (0.42) EPHX2CYP2D6CYP2C9SLC6A9SLC6A5
SCHEMBL2518090 0.91 UTS2R (0.40) UTS2RTRPM8EPHX2PRLHRCYP2D6
SCHEMBL5250217 0.91 UTS2R (0.40) UTS2RTRPM8EPHX2PRLHRCYP2D6
SCHEMBL2515333 0.86 CHRNA7 (0.46) SLC6A9HTR3EHTR3BALOX15TSHR
SCHEMBL5252394 0.84 TP53 (0.41) EPHX2CYP2D6CYP2C9SLC6A9SLC6A5
SCHEMBL2516227 0.84 TP53 (0.41) EPHX2CYP2D6CYP2C9SLC6A9SLC6A5

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