SCHEMBL5255473

SCHEMBL5255473

COC1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1NC(=O)c1ccc(C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
SLC6A9 P48067 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CHRNA7 P36544 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
EHMT2 Q96KQ7 1/20 0.39
ABCC9 O60706 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
MMP2 P08253 1/20 0.38
MEN1 O00255 2/20 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
SCHEMBL2517127 1.00 EPHX2 (0.41) EPHX2CYP2D6CYP2C9SLC6A9SLC6A5
SCHEMBL2519249 0.94 UTS2R (0.39) EPHX2CYP2D6CYP2C9SLC6A9SLC6A5
SCHEMBL5250752 0.94 UTS2R (0.39) EPHX2CYP2D6CYP2C9SLC6A9SLC6A5
SCHEMBL2515333 0.92 CHRNA7 (0.46) SLC6A9HTR3EHTR3BALOX15TSHR
SCHEMBL2514408 0.91 LIPE (0.42) EPHX2CYP2D6CYP2C9SLC6A9SLC6A5
SCHEMBL5257227 0.91 LIPE (0.42) EPHX2CYP2D6CYP2C9SLC6A9SLC6A5
SCHEMBL2516227 0.89 TP53 (0.41) EPHX2CYP2D6CYP2C9SLC6A9SLC6A5
SCHEMBL5252394 0.89 TP53 (0.41) EPHX2CYP2D6CYP2C9SLC6A9SLC6A5
SCHEMBL2517186 0.89 TP53 (0.41) EPHX2CYP2D6CYP2C9SLC6A9SLC6A5
SCHEMBL5250135 0.89 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