SCHEMBL10428496

SCHEMBL10428496

Cc1cccc(N2CCN(CCCOc3ccc4c(c3)NC(=O)CCC4)CC2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.70
MAOA P21397 7/20 0.61
MAOB P27338 6/20 0.61
DRD4 P21917 4/20 0.60
DRD3 P35462 4/20 0.60
HTR3E A5X5Y0 1/20 0.56
MEN1 O00255 1/20 0.56
MLNR O43193 1/20 0.56
HTR3B O95264 1/20 0.56
ABCB11 O95342 1/20 0.56
ESR1 P03372 1/20 0.56
PGR P06401 1/20 0.56
ADRB2 P07550 1/20 0.56
CHRM2 P08172 1/20 0.56
ABCB1 P08183 1/20 0.56
ADRB1 P08588 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
GAA P10253 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 0.94 DRD2 (0.78) DRD2MAOAMAOBDRD4DRD3
SCHEMBL10428512 0.90 DRD2 (0.68) DRD2MAOAMAOBDRD4DRD3
SCHEMBL23097640 0.88 DRD2 (0.68) DRD2MAOAMAOBDRD4DRD3
SCHEMBL10428737 0.85 DRD2 (0.81) DRD2MAOAMAOBDRD4DRD3
SCHEMBL23097591 0.85 DRD2 (0.58) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL10428487 0.84 DRD2 (0.77) DRD2MAOAMAOBDRD4DRD3
SCHEMBL10428524 0.84 DRD2 (0.79) DRD2MAOAMAOBDRD4DRD3
SCHEMBL10571607 0.83 DRD2 (0.94) DRD2MAOAMAOBDRD4DRD3
SCHEMBL10428566 0.83 DRD2 (0.75) DRD2MAOAMAOBDRD4DRD3
SCHEMBL10572644 0.83 DRD2 (0.75) DRD2MAOAMAOBDRD4DRD3

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-4914094-A CARBOSTYRIC OR BENZOXAZINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-04-03 US disclosed
EP-0226441-A2 Preparation of pharmaceutical compositions for the treatment of hypoxia OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-06-24 EP disclosed