SCHEMBL389971

SCHEMBL389971

CS(=O)(=O)O[C@@H]1CCN(c2ccc(Br)cn2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.43
CXCR3 P49682 1/20 0.40
PDE10A Q9Y233 1/20 0.40
HRH3 Q9Y5N1 3/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
AKR1C3 P42330 1/20 0.39
GPR119 Q8TDV5 3/20 0.39
ADRA1A P35348 1/20 0.37
CHRM4 P08173 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
SCHEMBL390047 1.00 ACACB (0.43) ACACBCXCR3PDE10AHRH3GRIN2D
SCHEMBL389972 1.00 ACACB (0.43) ACACBCXCR3PDE10AHRH3GRIN2D
SCHEMBL21812435 0.82 ADRA1A (0.47) ACACBPDE10AHRH3GRIN2DGRIN3B
SCHEMBL6573621 0.81 HRH3 (0.59) ACACBCXCR3HRH3GPR119
SCHEMBL3178582 0.80 NPY5R (0.40) ACACBHRH3GPR119
SCHEMBL28424965 0.79 GPR119 (0.52) HRH3GPR119
SCHEMBL15224314 0.77 HRH3 (0.52) ACACBPDE10AHRH3AKR1C3
SCHEMBL21812344 0.77 SMO (0.50) PDE10A
SCHEMBL28715870 0.77 AKR1C3 (0.49) CXCR3PDE10AGRIN2DGRIN3BGRIN1
SCHEMBL31144105 0.77 AKR1C3 (0.49) CXCR3PDE10AGRIN2DGRIN3BGRIN1

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-8101764-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed