SCHEMBL9734966

SCHEMBL9734966

CC(C)C[C@@H](C(=O)O)N1CC[C@@]2(CCCN2C(=O)O)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 3/20 0.37
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HSD11B1 P28845 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ACE P12821 2/20 0.32
MME P08473 1/20 0.32
BACE1 P56817 1/20 0.32
MMP2 P08253 4/20 0.31
MMP9 P14780 4/20 0.31
ADAM10 O14672 3/20 0.31
MMP1 P03956 3/20 0.31
MMP3 P08254 3/20 0.31
MMP7 P09237 3/20 0.31
MMP8 P22894 3/20 0.31
MMP13 P45452 3/20 0.31
MMP14 P50281 3/20 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
SCHEMBL14219500 0.91 NTSR1 (0.36) NTSR1GRIN2BGRIN2CSMN1; SMN2HSD11B1
SCHEMBL3040420 0.90 NTSR1 (0.40) NTSR1GRIN2BGRIN2CSMN1; SMN2HSD11B1
SCHEMBL7171906 0.90 NTSR1 (0.40) NTSR1GRIN2BGRIN2CSMN1; SMN2HSD11B1
SCHEMBL16317418 0.89 NTSR1 (0.35) NTSR1GRIN2BGRIN2CSMN1; SMN2HSD11B1
SCHEMBL3053658 0.89 NTSR1 (0.35) NTSR1GRIN2BGRIN2CSMN1; SMN2HSD11B1
SCHEMBL9735761 0.88 GRIN2B (0.35) NTSR1GRIN2BGRIN2CHSD11B1SLC6A2
SCHEMBL9735100 0.88 GRIN2B (0.35) NTSR1GRIN2BGRIN2CHSD11B1SLC6A2
SCHEMBL9736221 0.88 GRIN2B (0.35) NTSR1GRIN2BGRIN2CHSD11B1SLC6A2
SCHEMBL9736238 0.88 GRIN2B (0.35) NTSR1GRIN2BGRIN2CHSD11B1SLC6A2
SCHEMBL3051772 0.87 NTSR1 (0.35) NTSR1GRIN2BGRIN2CSMN1; SMN2HSD11B1

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-5166136-A SPIROLACTAM CONTAINING PEPTIDES GLAXO GROUP LIMITED (GB) 1992-11-24 US disclosed
EP-0360390-A1 Spirolactam derivatives GLAXO GROUP LIMITED (GB) 1990-03-28 EP disclosed