SCHEMBL8917996

SCHEMBL8917996

Cn1c(=O)oc2cc(CCCN3CCOCC3)cnc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR1A P08908 3/20 0.39
EGFR P00533 5/20 0.38
GRM4 Q14833 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
SRC P12931 3/20 0.37
HSD17B10 Q99714 1/20 0.36
FGFR1 P11362 2/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.36
FPR1 P21462 1/20 0.36

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 0.93 SIGMAR1 (0.41) SIGMAR1HTR1AEGFRSMN1; SMN2ALDH1A1
SCHEMBL8919193 0.89 TMEM97 (0.40) SIGMAR1HTR1A
SCHEMBL8917938 0.86 PDE1B (0.43) SIGMAR1POLBHTTKMT2ASMN1; SMN2
SCHEMBL8920545 0.85 SIGMAR1 (0.52) SIGMAR1HTR1A
SCHEMBL8918622 0.83 HRH3 (0.41) SIGMAR1HTR1A
SCHEMBL8919139 0.81 HRH3 (0.34) SIGMAR1KMT2AHTR1AHPGDALDH1A1
SCHEMBL9463688 0.78 HTR1A (0.59) SIGMAR1POLBHTTKMT2AHTR1A
SCHEMBL8918424 0.77 HTR1A (0.51) SIGMAR1HTR1A
SCHEMBL8628216 0.77 PDE10A (0.35) POLBHTTKMT2ASMN1; SMN2SRC
SCHEMBL8629045 0.75 ALDH1A1 (0.41) SIGMAR1POLBHTTKMT2AHSD17B10

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