SCHEMBL5819619

SCHEMBL5819619

CCC1CCC2CC(C(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
PREP P48147 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 4/20 0.36
KDM4E B2RXH2 1/20 0.36
DPP4 P27487 1/20 0.34
MAPT P10636 2/20 0.34
ACE P12821 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6363601 1.00 NR1H2 (0.41) NR1H2CHRM2CHRM1CHRM3PREP
SCHEMBL19414714 0.85 CHRM2 (0.47) NR1H2CHRM2CHRM1CHRM3PREP
SCHEMBL6922250 0.83 CHRM2 (0.50) CHRM2CHRM1CHRM3PREPCYP3A4
SCHEMBL29514321 0.82 CHRM2 (0.47) NR1H2CHRM2CHRM1CHRM3PREP
SCHEMBL15348379 0.82 CHRM2 (0.47) NR1H2CHRM2CHRM1CHRM3PREP
SCHEMBL15281913 0.82 CHRM2 (0.47) NR1H2CHRM2CHRM1CHRM3PREP
SCHEMBL14486578 0.82 CHRM2 (0.47) NR1H2CHRM2CHRM1CHRM3PREP
SCHEMBL16549901 0.82 CHRM2 (0.47) NR1H2CHRM2CHRM1CHRM3PREP
SCHEMBL16592244 0.82 CHRM2 (0.47) NR1H2CHRM2CHRM1CHRM3PREP
SCHEMBL25183803 0.82 CHRM2 (0.46) NR1H2CHRM2CHRM1CHRM3PREP

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
EP-1615885-A1 B -FUSED BICYCLIC PROLINE DERIVATIVES AND THEIR USE FOR TREATING ARTHRITIC CONDITIONS Warner-Lambert Company LLC (US) 2006-01-18 EP disclosed
WO-2004092132-A1 [B]-FUSED BICYCLIC PROLINE DERIVATIVES AND THEIR USE FOR TREATING ARTHRITIC CONDITIONS WARNER-LAMBERT COMPANY LLC (US) 2004-10-28 WO disclosed