SCHEMBL3852477

SCHEMBL3852477

CC(CC(N)=O)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.44
TRPV4 Q9HBA0 1/20 0.42
P2RX7 Q99572 13/20 0.41
AURKA O14965 1/20 0.40
GPR139 Q6DWJ6 1/20 0.40
CNR1 P21554 1/20 0.39
NR1I2 O75469 1/20 0.38
CYP2C9 P11712 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37

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
SCHEMBL12836124 1.00 LGMN (0.44) LGMNTRPV4P2RX7AURKAGPR139
SCHEMBL31477305 0.80 TRPV4 (0.44) TRPV4P2RX7GPR139
SCHEMBL16449367 0.80 TRPV4 (0.44) TRPV4P2RX7GPR139
SCHEMBL15354698 0.80 TRPV4 (0.44) TRPV4P2RX7GPR139
SCHEMBL20180478 0.80 TRPV4 (0.44) TRPV4P2RX7GPR139
SCHEMBL12836123 0.78 P2RX7 (0.40) LGMNP2RX7
SCHEMBL469196 0.78 TRPV4 (0.46) TRPV4P2RX7GPR139
SCHEMBL14612275 0.78 TRPV4 (0.46) TRPV4P2RX7GPR139
SCHEMBL10115935 0.78 TRPV4 (0.46) TRPV4P2RX7GPR139
SCHEMBL4430222 0.78 FFAR1 (0.44) P2RX7CYP2C9

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-A2 1,5-DIPHENYL-3-BENZYLAMINO-1,5-DIHYDROPYRROLIDIN 2-ONES AS CB1 RECEPTOR MODULATORS Eli Lilly & Company (US) 2009-09-02 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