SCHEMBL26239088

SCHEMBL26239088

CC(C)CNC(=O)C(C)(C)N1CCC2(CC1)COc1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.46
TDO2 P48775 4/20 0.46
SCD O00767 1/20 0.39
AVPR1A P37288 1/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
S1PR5 Q9H228 7/20 0.37
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
S1PR1 P21453 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
NPY5R Q15761 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2D6 P10635 1/20 0.35
OPRD1 P41143 1/20 0.35
KCNH2 Q12809 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
SCHEMBL29597292 0.76 GRIN2D (0.46) IDO1TDO2SCDAVPR1AS1PR5
SCHEMBL26239089 0.75 OPRL1 (0.46) POLBOPRD1KCNH2
SCHEMBL26239085 0.75 ALDH1A1 (0.39) CYP2C9KCNH2
SCHEMBL26239133 0.71 ADRA1D (0.49) OPRD1
SCHEMBL15144568 0.71 S1PR5 (0.49) IDO1SCDAVPR1AS1PR5S1PR1
SCHEMBL15144584 0.70 S1PR5 (0.47) IDO1TDO2SCDS1PR5S1PR1
SCHEMBL14112073 0.70 CYP2D6 (0.46) IDO1TDO2SCDAVPR1AS1PR5
SCHEMBL26238627 0.70 DRD2 (0.49) CYP2C9
SCHEMBL16546657 0.70 S1PR5 (0.41) IDO1SCDAVPR1AS1PR5TNKS
SCHEMBL14881501 0.69 IDO1 (0.55) IDO1SCDAVPR1AS1PR5TNKS

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