SCHEMBL23097640

SCHEMBL23097640

Cc1cccc(N2CCN(CCCOc3ccc4c(c3)CCC(=O)N4)CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.68
DRD3 P35462 4/20 0.66
DRD4 P21917 3/20 0.66
HTR1A P08908 3/20 0.66
HTR2A P28223 3/20 0.66
HTR7 P34969 3/20 0.66
HTR2C P28335 2/20 0.66
SLC6A4 P31645 2/20 0.66
MAOA P21397 4/20 0.57
MAOB P27338 4/20 0.57
HTR6 P50406 1/20 0.56

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
SCHEMBL10428495 0.93 DRD2 (0.78) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL23097591 0.91 DRD2 (0.58) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL23097691 0.89 DRD2 (0.67) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL10571129 0.89 DRD2 (0.68) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL23097595 0.89 DRD2 (0.81) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL23097736 0.88 DRD2 (0.66) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL10428496 0.88 DRD2 (0.70) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL23097668 0.87 DRD2 (0.64) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL23097663 0.86 DRD2 (0.62) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL10571057 0.85 DRD2 (0.75) DRD2DRD3DRD4HTR1AHTR2A

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