SCHEMBL13010992

SCHEMBL13010992

O=C1CC[C@H](c2cccc(OC(F)(F)F)c2)N1c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.43
CETP P11597 10/20 0.43
HDAC1 Q13547 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
MCHR1 Q99705 1/20 0.42
PIK3C3 Q8NEB9 2/20 0.41
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
ABCB1 P08183 1/20 0.39
HDAC5 Q9UQL6 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
SCHEMBL13670872 0.90 HDAC1 (0.47) CETPHDAC1HDAC8HDAC6PIK3C3
SCHEMBL27778845 0.89 HDAC1 (0.44) CETPHDAC1HDAC8HDAC6PIK3C3
SCHEMBL13011721 0.86 CETP (0.41) CETPHDAC1HDAC8HDAC6PIK3C3
SCHEMBL3586830 0.85 ALDH1A1 (0.47)
SCHEMBL3586828 0.85 ALDH1A1 (0.47)
SCHEMBL2691178 0.83 TNKS (0.49) HDAC1HDAC8HDAC6HCRTR1HCRTR2
SCHEMBL2693640 0.83 TNKS (0.49) HDAC1HDAC8HDAC6HCRTR1HCRTR2
SCHEMBL2691174 0.83 TNKS (0.49) HDAC1HDAC8HDAC6HCRTR1HCRTR2
SCHEMBL3591787 0.81 HDAC1 (0.42) CETPHDAC1HDAC8HDAC6MCHR1
SCHEMBL3596493 0.81 HDAC1 (0.42) CETPHDAC1HDAC8HDAC6MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094684-B1 1,5-DIPHENYL-3-BENZYLAMINO-1,5-DIHYDROPYRROLIDIN 2-ONES AS CB1 RECEPTOR MODULATORS LILLY CO ELI (US) 2010-12-22 EP disclosed
WO-2008070306-A2 1,5-DIPHENYL-3-BENZYLAMIN0-1,5-DIHYDR0PYRR0LIDIN-2-0NE AS CB1 RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2008-06-12 WO disclosed