SCHEMBL23097614

SCHEMBL23097614

CCc1ccc(N2CCN(CCCOc3ccc4c(c3)CC(=O)N4)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.59
KCNH2 Q12809 1/20 0.54
DRD3 P35462 4/20 0.53
DRD4 P21917 3/20 0.53
MAOB P27338 4/20 0.53
HTR1A P08908 2/20 0.52
SLC6A4 P31645 2/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
HTR7 P34969 1/20 0.52
GAA P10253 2/20 0.51
MAOA P21397 2/20 0.48
HRH3 Q9Y5N1 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48

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
SCHEMBL23097613 0.92 DRD2 (0.57) DRD2KCNH2DRD3DRD4MAOB
SCHEMBL23097616 0.91 DRD2 (0.56) DRD2KCNH2DRD3DRD4MAOB
SCHEMBL23097598 0.91 DRD2 (0.68) DRD2KCNH2DRD3DRD4MAOB
SCHEMBL23097761 0.90 DRD2 (0.65) DRD2KCNH2DRD3DRD4HTR1A
SCHEMBL23097637 0.90 DRD2 (0.58) DRD2KCNH2DRD3DRD4MAOB
SCHEMBL23097655 0.89 DRD2 (0.54) DRD2KCNH2DRD3DRD4MAOB
SCHEMBL23097632 0.88 MAOB (0.64) DRD2KCNH2DRD3DRD4MAOB
SCHEMBL23097771 0.88 SLC6A4 (0.61) DRD2KCNH2DRD3DRD4MAOB
SCHEMBL23097620 0.88 KCNH2 (0.69) DRD2KCNH2DRD3DRD4HTR1A
SCHEMBL23097697 0.88 KCNH2 (0.58) DRD2KCNH2DRD3DRD4MAOB

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