SCHEMBL8313638

SCHEMBL8313638

CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCC2=O)C[C@@H]2CCCC[C@@H]21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PREP P48147 7/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
UCHL1 P09936 3/20 0.40
USP30 Q70CQ3 1/20 0.37
HPGD P15428 1/20 0.36
ELANE P08246 1/20 0.35

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
SCHEMBL8549192 0.84 PREP (0.56) PREPHPGD
SCHEMBL9321893 0.84 PREP (0.56) PREPHPGD
SCHEMBL9321884 0.84 PREP (0.56) PREPHPGD
SCHEMBL9183787 0.84 PREP (0.53) PREPHPGD
SCHEMBL9177599 0.82 PREP (0.55) PREPHPGD
SCHEMBL9323319 0.82 PREP (0.55) PREPHPGD
SCHEMBL9323315 0.82 PREP (0.55) PREPHPGD
SCHEMBL15116700 0.80 CHRM2 (0.45) PREPCHRM2CHRM1CHRM3HPGD
SCHEMBL4795338 0.80 CHRM2 (0.45) PREPCHRM2CHRM1CHRM3HPGD
SCHEMBL3050914 0.80 CHRM2 (0.45) PREPCHRM2CHRM1CHRM3

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-2004071454-A2 SUBSTITUTED AZETIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV GUILFORD PHARMACEUTICALS INC. (US) 2004-08-26 WO disclosed