SCHEMBL8920545

SCHEMBL8920545

Cn1c(=O)oc2cc(CCCN3CCN(c4ccccc4)CC3)cnc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.52
HTR1A P08908 8/20 0.51
HTR7 P34969 5/20 0.50
DRD2 P14416 4/20 0.48
DRD3 P35462 3/20 0.48
DRD4 P21917 2/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47

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
SCHEMBL8918424 0.94 HTR1A (0.51) SIGMAR1HTR1AHTR7DRD2DRD3
SCHEMBL8918497 0.88 DRD4 (0.53) HTR1AHTR7DRD2DRD3DRD4
SCHEMBL8917996 0.85 SIGMAR1 (0.44) SIGMAR1HTR1A
SCHEMBL8919193 0.83 TMEM97 (0.40) SIGMAR1HTR1ADRD2
SCHEMBL10393710 0.82 HTR1A (0.67) SIGMAR1HTR1AHTR7DRD2
SCHEMBL8919693 0.78 POLB (0.46) HTR1AHTR7
SCHEMBL8920270 0.78 KMT2A (0.52) HTR1AHTR7ADRA1DADRA1AADRA1B
SCHEMBL8918622 0.77 HRH3 (0.41) SIGMAR1HTR1A
SCHEMBL8918838 0.76 DRD4 (0.51) HTR1AHTR7DRD2DRD3DRD4
SCHEMBL8919139 0.75 HRH3 (0.34) SIGMAR1HTR1AHTR7

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-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 claimed
US-5618819-A ANALGESICS ADIR ET COMPAGNIE (FR) 1997-04-08 US disclosed