SCHEMBL8474292

SCHEMBL8474292

CCOC(=O)[C@H]1[C@@H]2C[C@@H](Cc3cccc(C)c3)[C@](C#N)(C(=O)CN)[C@@H]21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
P2RY12 Q9H244 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
POLB P06746 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRM2 Q14416 2/20 0.31
GRM3 Q14832 2/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL8891460 0.91 MAPT (0.34) ALDH1A1KMT2AMAPTMEN1L3MBTL1
SCHEMBL8764436 0.85 GRM2 (0.38) ALDH1A1MAPTCA12CA1CA2
SCHEMBL8891587 0.85 MEN1 (0.36) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL8892415 0.85 PPARG (0.34) ALDH1A1KMT2AMAPTMEN1GRM2
SCHEMBL8763799 0.84 GRM2 (0.49) ALDH1A1KMT2AMEN1L3MBTL1CA12
SCHEMBL8764066 0.84 GRM2 (0.49) ALDH1A1KMT2AMEN1L3MBTL1CA12
SCHEMBL8764713 0.75 ALDH1A1 (0.33) MAPK8MAPK9ALDH1A1GRM2GRM3
SCHEMBL8907681 0.66 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1L3MBTL1CA12
SCHEMBL8762579 0.66 GRM2 (0.63) ALDH1A1POLBGRM2GRM3
SCHEMBL8891838 0.66 GRM2 (0.63) ALDH1A1POLBGRM2GRM3

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
US-5916920-A CONTROLLING NEUROTRANSMITTER RECPETORS; NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY (US) 1999-06-29 US disclosed
EP-0774455-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1997-05-21 EP disclosed