SCHEMBL26239089

SCHEMBL26239089

CC(C)CNC(=O)C(C)(C)N1CCC(O)(c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.46
OPRM1 P35372 9/20 0.46
OPRK1 P41145 8/20 0.46
OPRD1 P41143 7/20 0.46
CCR1 P32246 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
GRIN1 Q05586 1/20 0.41
KCNH2 Q12809 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
POLB P06746 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL26239085 0.88 ALDH1A1 (0.39) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL26239133 0.83 ADRA1D (0.49) OPRL1OPRM1OPRD1
SCHEMBL26238627 0.78 DRD2 (0.49) DRD2
SCHEMBL25389373 0.76 PRCP (0.48) OPRM1CCR1KCNH2DRD2
SCHEMBL26239088 0.75 IDO1 (0.46) OPRD1KCNH2POLB
SCHEMBL2629517 0.74 OPRM1 (0.70) OPRL1OPRM1OPRK1OPRD1GRIN2D
SCHEMBL25387883 0.74 MAPT (0.41) DRD2
SCHEMBL26238724 0.72 ADRA1A (0.43) DRD2
SCHEMBL26239083 0.72 PRCP (0.45) OPRM1KCNH2DRD2
SCHEMBL26239082 0.72 PRMT5 (0.50)

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-2023172415-A1 SWEETENER COMPOSITIONS FIRMENICH INCORPORATED (US) 2023-09-14 WO disclosed