SCHEMBL1111155

SCHEMBL1111155

CC(=O)NCC(C)c1cccc(C(F)(F)F)n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.52
P2RX7 Q99572 1/20 0.44
ACACB O00763 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SYK P43405 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MTNR1A P48039 4/20 0.38
MTNR1B P49286 4/20 0.38
IDH1 O75874 2/20 0.38
DDR1 Q08345 1/20 0.37
CBLB Q13191 1/20 0.37
ADAMTS4 O75173 1/20 0.37
MMP13 P45452 1/20 0.37
TAS2R14 Q9NYV8 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
SCHEMBL29676316 0.81 ACACB (0.53) ADRB1P2RX7ACACBNPSR1IDH1
SCHEMBL1111249 0.78 NPSR1 (0.42) ACACBNPSR1MTNR1AMTNR1B
SCHEMBL22481243 0.78 ADRB1 (0.72) ADRB1P2RX7IDH1
SCHEMBL23343865 0.77 ADRB1 (0.54) ADRB1P2RX7IDH1
SCHEMBL1118073 0.77 ACACB (0.39) ACACBSYKMTNR1AMTNR1BIDH1
SCHEMBL15354799 0.76 ADRB1 (0.51) ADRB1P2RX7IDH1
SCHEMBL29675917 0.75 ADRB1 (0.49) ADRB1P2RX7ACACBSYKIDH1
SCHEMBL20342872 0.74 ADRB1 (0.54) ADRB1P2RX7ACACBIDH1
SCHEMBL27825130 0.74 ADRB1 (0.47) ADRB1P2RX7ACACBNPSR1IDH1
SCHEMBL4664170 0.74 NPSR1 (0.70) ADRB1P2RX7NPSR1SYKDDR1

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-2278968-A2 1,5-DIPHENYL-PYRROLIDIN-2-ONE COMPOUNDS AS CB-1 LIGANDS ELI LILLY AND COMPANY (US) 2011-02-02 EP disclosed
WO-2009131814-A2 1,5-DIPHENYL-PYRROLIDIN-2-ONE COMPOUNDS AS CB-1 LIGANDS ELI LILLY AND COMPANY (US) 2009-10-29 WO disclosed