SCHEMBL7001436

SCHEMBL7001436

COc1ccccc1-c1csc(C2CCCN2C(N)=O)c1-n1cccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 1/20 0.41
TRPV1 Q8NER1 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
HCRTR1 O43613 5/20 0.36
HCRTR2 O43614 5/20 0.36
UCHL1 P09936 1/20 0.36
USP30 Q70CQ3 1/20 0.36
HTR1A P08908 3/20 0.35
HTR7 P34969 3/20 0.35
HSD17B10 Q99714 1/20 0.35
SHMT2 P34897 1/20 0.35
PPIB P23284 1/20 0.35
PPID Q08752 1/20 0.35
PPIG Q13427 1/20 0.35
ROCK2 O75116 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
SCHEMBL6995942 0.70 TDP1 (0.55) HSD17B10
SCHEMBL8189660 0.69 POLB (0.53) HSD17B10
SCHEMBL5194432 0.69 HSP90AA1 (0.58) SCD5HSP90AA1HSP90AB1HSD17B10PPIB
SCHEMBL27460074 0.69 ALDH1A1 (0.38) HSP90AA1HSP90AB1HSD17B10
SCHEMBL31648898 0.67 HSP90AA1 (0.50) SCD5HSP90AA1HSP90AB1PPIBPPID
SCHEMBL4776278 0.62 RIPK1 (0.65) SCD5HSP90AA1HSP90AB1PPID
Formamide SCHEMBL4480338 0.62 HSD11B1 (0.37) HSP90AA1HSP90AB1PPIBPPIDPPIG
SCHEMBL4563122 0.61 SCD5 (0.42) SCD5TRPV1HCRTR1HCRTR2ROCK2
SCHEMBL3538079 0.61 SCD5 (0.47) SCD5HCRTR1HCRTR2UCHL1USP30
SCHEMBL6998322 0.60 ALDH1A1 (0.46) HSD17B10

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
EP-0982308-B1 Derivatives of the 8H-(2,3-b)-pyrrolizine-8-one, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-02-26 EP disclosed
EP-0982308-A1 Derivatives of the 8H-(2,3-b)-pyrrolizine-8-one, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-03-01 EP disclosed