SCHEMBL6823312

SCHEMBL6823312

CC(C)(C)OC(=O)N1CCC2(CC1)CC(c1ccccc1)OC2=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.46
GPR119 Q8TDV5 1/20 0.46
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
RORC P51449 2/20 0.41
SCD5 Q86SK9 1/20 0.41
BACE1 P56817 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TACR1 P25103 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 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
SCHEMBL9933565 0.79 USP2 (0.48) USP30GPR119KDM4EUSP2SMN1; SMN2
SCHEMBL13342724 0.79 USP30 (0.47) USP30GPR119TSHRALOX15ATM
SCHEMBL6823615 0.78 GPR119 (0.46) GPR119TSHRALOX15ATMKDM4E
SCHEMBL13026389 0.77 USP30 (0.46) USP30GPR119TSHRALOX15ATM
SCHEMBL9934513 0.76 USP2 (0.44) USP30GPR119KDM4EUSP2SMN1; SMN2
SCHEMBL25484607 0.75 USP30 (0.44) USP30GPR119TSHRALOX15ATM
SCHEMBL20168618 0.74 HTR7 (0.57)
SCHEMBL22723056 0.74 HTR7 (0.57)
SCHEMBL22723084 0.74 HTR7 (0.57)
SCHEMBL31399304 0.74 HTR7 (0.57)

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
WO-2004058763-A1 4(SPIROPIPERIDINYL)METHYL SUBSTITUTED PYRROLIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2004-07-15 WO disclosed