SCHEMBL8007382

SCHEMBL8007382

CN1CCC2(CC1)CC(=O)N(C(=O)O)C2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
TSHR P16473 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 2/20 0.33
HIF1A Q16665 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MAPK1 P28482 1/20 0.33
DRD2 P14416 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
NEK2 P51955 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32

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
SCHEMBL25275893 0.85 ITGB3 (0.30) ITGB3ITGA2B
SCHEMBL18820718 0.82 CHRM2 (0.36) CHRM2CHRM3CYP1A2HIF1ACYP11B1
SCHEMBL29860723 0.81 CYP11B1 (0.31) CYP11B1CYP11B2
SCHEMBL29860703 0.77 CYP1A2 (0.33) CYP1A2
SCHEMBL29860996 0.77
SCHEMBL1753879 0.76 CYP11B1 (0.50) CHRM2CHRM3TSHRCYP11B1CYP11B2
SCHEMBL19262304 0.73 CHRM2 (0.39) CHRM2CHRM3TSHRCYP1A2CYP11B1
SCHEMBL26822718 0.73 CHRM2 (0.39) CHRM2CHRM3TSHRCYP1A2CYP3A4
SCHEMBL18820451 0.71 CHRM2 (0.49) CHRM2CHRM3CYP11B1CYP11B2NEK2
SCHEMBL18820460 0.71 CHRM2 (0.38) CHRM2CHRM3CYP11B1CYP11B2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000027790-A1 MUTILIN COMPOUNDS SMITHKLINE BEECHAM P.L.C. (GB) 2000-05-18 WO claimed
WO-2000027790-A1 MUTILIN COMPOUNDS SMITHKLINE BEECHAM P.L.C. (GB) 2000-05-18 WO disclosed