SCHEMBL8917938

SCHEMBL8917938

Cn1c(=O)oc2cc(CN3CCOCC3)cnc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 4/20 0.43
SIGMAR1 Q99720 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
SYK P43405 2/20 0.39
HSD17B10 Q99714 2/20 0.39
DCTPP1 Q9H773 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PSMB8 P28062 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL8918611 0.89 SIGMAR1 (0.41) SIGMAR1SMN1; SMN2SYKALDH1A1LMNA
SCHEMBL8919081 0.88 PDE1B (0.41) PDE1BSMN1; SMN2KDM4EHSD17B10DCTPP1
SCHEMBL8917996 0.86 SIGMAR1 (0.44) SIGMAR1SMN1; SMN2POLBHSD17B10KMT2A
SCHEMBL8918497 0.83 DRD4 (0.53) MEN1KMT2AALDH1A1LMNA
SCHEMBL8629045 0.78 ALDH1A1 (0.41) SIGMAR1POLBHSD17B10MEN1KMT2A
SCHEMBL8918622 0.78 HRH3 (0.41) SIGMAR1SYKHRH3
SCHEMBL8918991 0.77 PDE1B (0.46) PDE1BSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL8624806 0.76 HSD17B10 (0.35) SMN1; SMN2KDM4EHSD17B10MEN1KMT2A
SCHEMBL8628216 0.74 PDE10A (0.35) SMN1; SMN2KDM4EPOLBSYKHSD17B10
SCHEMBL8918424 0.73 HTR1A (0.51) SIGMAR1

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-5618819-A ANALGESICS ADIR ET COMPAGNIE (FR) 1997-04-08 US disclosed
EP-0691339-A1 Amine derivatives of 1,3-dihydro-2H-pyrrolo(2,3-b)pyridin-2-ones and oxazolo(4,5-b)pyridin-2(3H)-ones, their process of preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-01-10 EP disclosed