SCHEMBL6530783

SCHEMBL6530783

COC(=O)C(N)(C(=O)OC(C)(C)C)[C@H]1CC[C@@H](O)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.43
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP13 P45452 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
SCHEMBL3366689 1.00 DGAT1 (0.43) DGAT1CHRM2CHRM1CHRM3MMP2
SCHEMBL2246619 1.00 DGAT1 (0.43) DGAT1CHRM2CHRM1CHRM3MMP2
SCHEMBL6360021 0.87 DGAT1 (0.43) DGAT1
SCHEMBL1372061 0.87 DGAT1 (0.46) DGAT1
SCHEMBL2240973 0.83 DGAT1 (0.37) DGAT1
SCHEMBL30984403 0.78 DGAT1 (0.36) DGAT1CHRM2CHRM1CHRM3
SCHEMBL20775447 0.78 DGAT1 (0.36) DGAT1CHRM2CHRM1CHRM3
SCHEMBL21122979 0.75 CHRM2 (0.41) DGAT1CHRM2CHRM1CHRM3MMP2
SCHEMBL15721883 0.75 CHRM2 (0.41) DGAT1CHRM2CHRM1CHRM3MMP2
SCHEMBL15722038 0.75 CHRM2 (0.41) DGAT1CHRM2CHRM1CHRM3MMP2

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-2005100334-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS PFIZER PRODUCTS INC. (US) 2005-10-27 WO disclosed