SCHEMBL8649196

SCHEMBL8649196

CC(C)(C)OC(=O)N1CCC(O)(CN(CCO)Cc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
TACR1 P25103 1/20 0.43
STS P08842 1/20 0.42
ATM Q13315 1/20 0.41
GPR119 Q8TDV5 4/20 0.41
PTPRB P23467 1/20 0.40
PTPN11 Q06124 1/20 0.40
ACHE P22303 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
USP19 O94966 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL16101520 0.92 OPRD1 (0.48) OPRD1OPRK1JAK2JAK1TSHR
SCHEMBL12492182 0.85 OPRD1 (0.43) OPRD1OPRK1JAK2JAK1TSHR
SCHEMBL5520738 0.84 JAK2 (0.50) OPRD1OPRK1JAK2JAK1TSHR
SCHEMBL12493077 0.84 ATM (0.45) OPRD1OPRK1JAK2JAK1TSHR
SCHEMBL13277303 0.83 OPRD1 (0.45) OPRD1OPRK1JAK2JAK1TSHR
SCHEMBL16827186 0.81 TACR1 (0.48) OPRD1OPRK1JAK2JAK1TSHR
SCHEMBL12492823 0.81 OPRD1 (0.46) OPRD1OPRK1JAK2JAK1TSHR
SCHEMBL2951728 0.79 OPRD1 (0.53) OPRD1OPRK1TSHRALOX15TACR1
SCHEMBL27313194 0.78 OPRD1 (0.47) OPRD1OPRK1JAK2JAK1TSHR
SCHEMBL22834092 0.77 OPRD1 (0.51) OPRD1OPRK1TSHRALOX15TACR1

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-5854268-A Azetidine, pyrrolidine and piperidine derivatives MERCK SHARP & DOHME, LTD. (GB) 1998-12-29 US disclosed