SCHEMBL6507991

SCHEMBL6507991

CC(C)(C)OC(=O)NC1(CN)C=CCC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.34
CTSL P07711 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
GHSR Q92847 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
DRD2 P14416 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GAA P10253 1/20 0.30
PPIA P62937 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL5035603 0.73 MEN1 (0.33) APLNRCTSLMEN1MAPK1KMT2A
SCHEMBL1752478 0.73 MEN1 (0.37) APLNRCTSLMEN1MAPK1KMT2A
SCHEMBL30800371 0.72 MEN1 (0.33) APLNRCTSLMEN1MAPK1KMT2A
Hydrochloric Acid SCHEMBL28213668 0.71 MEN1 (0.36) APLNRCTSLMEN1MAPK1KMT2A
SCHEMBL16081548 0.70 P2RX7 (0.39) APLNRCTSLMEN1MAPK1KMT2A
SCHEMBL1134597 0.70 P2RX7 (0.41) APLNRCTSLMEN1MAPK1KMT2A
Hydrochloric Acid SCHEMBL23852069 0.70 MEN1 (0.33) APLNRCTSLMEN1MAPK1KMT2A
SCHEMBL8282017 0.69 P2RX7 (0.43) APLNRCTSLMEN1MAPK1KMT2A
SCHEMBL27390294 0.69 MEN1 (0.38) APLNRCTSLMEN1MAPK1KMT2A
SCHEMBL23842466 0.69 MEN1 (0.38) APLNRCTSLMEN1MAPK1KMT2A

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-2005075426-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS; PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS THEREOF GLENMARK PHARMACEUTICALS LTD. (US) 2005-08-18 WO claimed