SCHEMBL7713231

SCHEMBL7713231

N[C@H]1CCN(C(c2cccc(Cl)c2)c2cccc(OC(=O)C(F)(F)F)c2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
OPRL1 P41146 6/20 0.38
OPRM1 P35372 5/20 0.37
OPRD1 P41143 5/20 0.37
OPRK1 P41145 5/20 0.37
CACNA2D1 P54289 3/20 0.34
CACNA1B Q00975 3/20 0.34
CACNB1 Q02641 3/20 0.34
CACNA1C Q13936 3/20 0.34
CACNA1G O43497 1/20 0.34
TRPA1 O75762 1/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL7715202 0.91 MGLL (0.38) DPP4DPP7OPRL1OPRM1OPRD1
Trifluoroacetic Acid SCHEMBL7713229 0.82 DPP4 (0.48) DPP4DPP7OPRL1OPRM1OPRD1
Trifluoroacetic Acid SCHEMBL7718434 0.73 DPP4 (0.40) DPP4DPP7OPRL1OPRM1OPRD1
SCHEMBL7714834 0.64 KDM4D (0.43)
SCHEMBL7714833 0.64 KDM4D (0.43)
SCHEMBL24901075 0.60 BCHE (0.43) TRPA1
SCHEMBL19471892 0.60 HDAC1 (0.49)
SCHEMBL14275595 0.60 HDAC1 (0.49)
SCHEMBL17784780 0.60 HDAC1 (0.49)
SCHEMBL10180800 0.59 ESR1 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed
EP-1214326-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-06-19 EP disclosed
WO-2001018006-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed