SCHEMBL2583441

SCHEMBL2583441

CC(C)(C)OC(=O)N1[C@@H](CO)CC[C@H]1c1c(F)cc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
RIPK1 Q13546 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
TRPA1 O75762 3/20 0.35
GPR119 Q8TDV5 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NR1H2 P55055 1/20 0.35
CETP P11597 1/20 0.34
ABCB1 P08183 1/20 0.34
TACR1 P25103 3/20 0.33
PREP P48147 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL2348006 0.82 DPP4 (0.40) DPP4RIPK1CHRM2CHRM1CHRM3
SCHEMBL2348001 0.82 DPP4 (0.40) DPP4RIPK1CHRM2CHRM1CHRM3
SCHEMBL4501380 0.81 TRPA1 (0.37) DPP4RIPK1TRPA1ATM
SCHEMBL14563128 0.81 TRPA1 (0.47) TRPA1ABCB1TACR1
SCHEMBL14563127 0.81 TRPA1 (0.47) TRPA1ABCB1TACR1
SCHEMBL2350570 0.81 TRPA1 (0.47) TRPA1ABCB1TACR1
SCHEMBL2351859 0.81 FFAR2 (0.43) DPP4TRPA1GPR119ABCB1TACR1
SCHEMBL28528295 0.80 RIPK1 (0.50) RIPK1TRPA1GPR119ABCB1
SCHEMBL24293065 0.78 CHRM2 (0.51) CHRM2CHRM1CHRM3SMN1; SMN2NR1H2
SCHEMBL31433028 0.78 CHRM2 (0.51) CHRM2CHRM1CHRM3SMN1; SMN2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048878-B2 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-01 US disclosed