SCHEMBL31252147

SCHEMBL31252147

CC(C)(C)OC(=O)NCCCN1CCC(c2cccc(C(=O)O)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.49
DRD3 P35462 6/20 0.49
HTR1A P08908 5/20 0.49
DRD1 P21728 5/20 0.49
DRD4 P21917 5/20 0.49
DRD5 P21918 5/20 0.49
CNR2 P34972 1/20 0.46
SIGMAR1 Q99720 2/20 0.46

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
SCHEMBL25378584 1.00 DRD2 (0.49) DRD2DRD3HTR1ADRD1DRD4
SCHEMBL14619656 0.83 DRD2 (0.60) DRD2DRD3SIGMAR1
SCHEMBL31252151 0.82 ACHE (0.45) DRD2CNR2SIGMAR1
SCHEMBL25381126 0.82 ACHE (0.45) DRD2CNR2SIGMAR1
SCHEMBL5510931 0.80 DRD2 (0.60) DRD2
SCHEMBL34474944 0.77 CPT2 (0.44) DRD2HTR1A
SCHEMBL2556685 0.76 PDE4B (0.56)
SCHEMBL12501782 0.74 DRD2 (0.65) DRD2DRD3HTR1ADRD4SIGMAR1
SCHEMBL6848549 0.74 CCR2 (0.50) DRD2SIGMAR1
SCHEMBL9542849 0.74 ROCK2 (0.49) DRD2DRD4

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
CN-118843616-A Benzamide compounds for the treatment of bacterial infections 豪夫迈·罗氏有限公司 2024-10-25 CN disclosed