SCHEMBL9874570

SCHEMBL9874570

CC1c2ccccc2CCC1(O)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.43
EPHX2 P34913 1/20 0.41
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DRD2 P14416 4/20 0.38
IDO1 P14902 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
BACE1 P56817 1/20 0.36
LIPE Q05469 2/20 0.35
KDM1A O60341 3/20 0.35
OPRM1 P35372 1/20 0.35
NAMPT P43490 1/20 0.35
MAPK10 P53779 1/20 0.34
MAOB P27338 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34

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
SCHEMBL10446777 0.89 GHSR (0.41) GHSREPHX2DPP8DPP9DRD2
SCHEMBL16032520 0.75 EPHX2 (0.41) GHSREPHX2DPP8DPP9DRD2
SCHEMBL23223760 0.73 GHSR (0.45) GHSREPHX2DPP8DPP9DRD2
SCHEMBL18088760 0.73 GHSR (0.45) GHSREPHX2DPP8DPP9DRD2
SCHEMBL16350191 0.73 GHSR (0.46) GHSREPHX2DPP8DPP9DRD2
SCHEMBL2813574 0.72 GHSR (0.63) GHSREPHX2DRD2BACE1
SCHEMBL29715495 0.72 GHSR (0.63) GHSREPHX2DRD2BACE1
SCHEMBL18614234 0.72 GHSR (0.63) GHSREPHX2DRD2BACE1
SCHEMBL31232485 0.71 SLC6A2 (0.46) GHSREPHX2DPP8DPP9TAS1R3
SCHEMBL3375618 0.71 PDE4A (0.52) EPHX2DRD2TAS1R3TAS1R1TAS1R2

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-5041673-A Aminopeptidase inhibitors, immunomodulators, analgesics MERRELL DOW PHARMACEUTICALS INC. (US) 1991-08-20 US disclosed