SCHEMBL7316922

SCHEMBL7316922

COc1ccc2c(c1)O[C@@H](CBr)CC2

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.52
HTR1A P08908 1/20 0.49
HTR1D P28221 1/20 0.49
CA2 P00918 1/20 0.46
CA5A P35218 1/20 0.46
DRD2 P14416 6/20 0.44
DRD3 P35462 6/20 0.44
HRH3 Q9Y5N1 1/20 0.42
HTR6 P50406 1/20 0.41
DRD4 P21917 2/20 0.41

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
SCHEMBL7321911 1.00 FFAR1 (0.52) FFAR1HTR1AHTR1DCA2CA5A
SCHEMBL7395858 0.87 FFAR1 (0.51) FFAR1HTR1AHTR1DCA2CA5A
SCHEMBL7317624 0.87 FFAR1 (0.54) FFAR1HTR1AHTR1DCA2CA5A
SCHEMBL7317620 0.87 FFAR1 (0.54) FFAR1HTR1AHTR1DCA2CA5A
SCHEMBL8036693 0.84 FFAR1 (0.52) FFAR1HTR1AHTR1DCA2CA5A
SCHEMBL7323697 0.80 HTR1A (0.61) HTR1AHTR1DDRD2DRD3HTR6
SCHEMBL7320041 0.79 HTR1A (0.55) FFAR1HTR1AHTR1DHTR6
SCHEMBL8845524 0.79 DRD2 (0.59) HTR1AHTR1DDRD2DRD3DRD4
SCHEMBL6495993 0.78 CA2 (0.48) FFAR1HTR1AHTR1DCA2CA5A
SCHEMBL6505490 0.78 CA2 (0.48) FFAR1HTR1AHTR1DCA2CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5684039-A Chroman-2-ylmethylamino derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1997-11-04 US disclosed
US-5670667-A DOPAMINE INHIBITORS FOR PSYCHOLOGICAL DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-09-23 US disclosed
US-5541199-A DOPAMINE MODULATORS, SCHIZOPHRENIA AMERICAN HOME PRODUCTS CORPORATION (US) 1996-07-30 US disclosed