SCHEMBL23097579

SCHEMBL23097579

O=C1Cc2cc(OCCCN3CCN(c4ccccc4F)CC3)ccc2N1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.71
DRD4 P21917 6/20 0.57
DRD3 P35462 6/20 0.57
HTR1A P08908 2/20 0.57
HTR2A P28223 2/20 0.57
HTR2C P28335 1/20 0.57
SLC6A4 P31645 1/20 0.57
HTR7 P34969 1/20 0.57
KCNH2 Q12809 1/20 0.53

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
SCHEMBL23097745 0.91 DRD2 (0.82) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL23097589 0.89 DRD2 (0.71) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL23097560 0.88 DRD2 (0.71) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL10572858 0.86 DRD2 (0.94) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL23097764 0.86 DRD2 (0.72) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL10489982 0.85 DRD2 (0.69) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL23097687 0.84 KCNH2 (0.54) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL23097632 0.83 MAOB (0.64) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL23097721 0.83 DRD2 (0.56) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL23097565 0.82 DRD2 (0.63) DRD2DRD4DRD3HTR1AHTR2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170334-B1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION UNIV EMORY (US) 2021-03-17 EP disclosed