SCHEMBL7722244

SCHEMBL7722244

CC(C)(C)OC(=O)N1C[C@H](N(C(=O)CN)C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC(Oc2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.36
STS P08842 2/20 0.35
CACNB4 O00305 1/20 0.35
CACNA1A O00555 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNG3 O60359 1/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNB3 P54284 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNG7 P62955 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNG1 Q06432 1/20 0.35
CACNB2 Q08289 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
CACNA1E Q15878 1/20 0.35
CACNA2D4 Q7Z3S7 1/20 0.35

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
SCHEMBL7722094 1.00 GPR119 (0.36) GPR119STSCACNB4CACNA1ACACNA1G
SCHEMBL7730641 0.85 NPBWR1 (0.39) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL7730976 0.83 MCL1 (0.44) GPR119USP30
SCHEMBL7730697 0.81 SMN1; SMN2 (0.44) GPR119
SCHEMBL7728745 0.80 MAPT (0.44)
SCHEMBL7722004 0.79 TGM2 (0.40)
SCHEMBL7734014 0.76 GAA (0.40) GPR119
SCHEMBL7722091 0.75 STS (0.37) GPR119STSHSD17B10
SCHEMBL7722247 0.75 STS (0.37) GPR119STSHSD17B10
SCHEMBL7722098 0.75 STS (0.37) GPR119STSHSD17B10

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-6399629-B1 PYRROLIDINES AND PIPERIDINES FOR TREATING MICROBIAL INFECTIONS BY REDUCING EXPORT OF COADMINISTERED ANTIMICROBIAL AGENT OR COMPOUND SYNTHESIZED BY MICROBES FOR THEIR GROWTH; REDUCING IN VIVO AVAILABILITY MICROCIDE PHARMACEUTICALS, INC. 2002-06-04 US disclosed