SCHEMBL8101993

SCHEMBL8101993

CC(C)(C)OC(=O)N1CCC(O)(CCc2cccc(F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.51
GPR4 P46093 1/20 0.44
TACR1 P25103 1/20 0.44
CCNT1 O60563 1/20 0.44
OPRD1 P41143 2/20 0.42
OPRK1 P41145 1/20 0.42
CDK9 P50750 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
GRM5 P41594 1/20 0.40
GRM1 Q13255 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL8117309 0.89 GPR119 (0.51) GPR119TACR1CCNT1OPRD1OPRK1
SCHEMBL8111848 0.89 GPR119 (0.52) GPR119TACR1CCNT1OPRD1OPRK1
SCHEMBL22834092 0.86 OPRD1 (0.51) GPR119GPR4TACR1OPRD1OPRK1
SCHEMBL22265462 0.82 GPR119 (0.52) GPR119TACR1CCNT1OPRD1OPRK1
SCHEMBL14782776 0.80 GPR119 (0.48) GPR119GPR4TACR1
SCHEMBL22265595 0.80 GPR119 (0.51) GPR119TACR1CCNT1OPRD1OPRK1
SCHEMBL22309112 0.80 MEN1 (0.51) GPR119TACR1CCNT1OPRD1OPRK1
SCHEMBL31338779 0.80 GPR119 (0.51) GPR119TACR1CCNT1OPRD1OPRK1
SCHEMBL20015326 0.80 GPR119 (0.60) GPR119CCNT1KMT2A
SCHEMBL22265768 0.79 TACR1 (0.43) GPR119GPR4TACR1OPRD1OPRK1

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-6048878-A Substituted piperidine derivatives as selective agonists of 5-HT receptors MERCK SHARP & DOHME LTD. (GB) 2000-04-11 US disclosed