SCHEMBL9733830

SCHEMBL9733830

CC(C)C[C@@H](C(=O)O)N1CC[C@@]2(CCCCN2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ADAM10 O14672 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 1/20 0.31
ADAM17 P78536 1/20 0.31
ACE P12821 2/20 0.30
MME P08473 1/20 0.30
RAB9A P51151 2/20 0.30
MAPT P10636 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
SCHEMBL1527326 0.96 SMN1; SMN2 (0.34) SMN1; SMN2SLC6A2SLC6A4SLC6A3ADAM10
SCHEMBL1527328 0.96 SMN1; SMN2 (0.34) SMN1; SMN2SLC6A2SLC6A4SLC6A3ADAM10
SCHEMBL13059971 0.86 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL13429355 0.85 SLC6A2 (0.30) SLC6A2SLC6A4SLC6A3
SCHEMBL9733710 0.83 POLB (0.33) SLC6A2SLC6A4SLC6A3ADAM10MMP1
SCHEMBL9733714 0.83 POLB (0.33) SLC6A2SLC6A4SLC6A3ADAM10MMP1
SCHEMBL24112509 0.81 ALDH1A1 (0.32) SMN1; SMN2
SCHEMBL7528125 0.79 MMP1 (0.36) MMP1MMP2MMP9ADAM17ACE
SCHEMBL7528133 0.79 MMP1 (0.36) MMP1MMP2MMP9ADAM17ACE
SCHEMBL7528129 0.79 MMP1 (0.36) MMP1MMP2MMP9ADAM17ACE

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