SCHEMBL8035957

SCHEMBL8035957

c1ccc(CNCC2Cc3ccccc3O2)cc1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.53
DRD4 P21917 8/20 0.53
DRD3 P35462 8/20 0.53
DRD1 P21728 2/20 0.53
DRD5 P21918 2/20 0.53
ALDH1A1 P00352 1/20 0.51
HTR2A P28223 1/20 0.49
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47

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
SCHEMBL8864160 0.85 DRD2 (0.72) DRD2DRD4DRD3DRD1DRD5
SCHEMBL5640879 0.85 DRD2 (0.72) DRD2DRD4DRD3DRD1DRD5
SCHEMBL8864198 0.85 DRD2 (0.72) DRD2DRD4DRD3DRD1DRD5
Bromide SCHEMBL6281511 0.84 DRD2 (0.70) DRD2DRD4DRD3DRD1DRD5
SCHEMBL19393125 0.83 ALDH1A1 (0.45) DRD2DRD4DRD3DRD1DRD5
SCHEMBL1485140 0.80 HRH3 (0.49) DRD2DRD4DRD3HTR2A
SCHEMBL1485141 0.80 HRH3 (0.49) DRD2DRD4DRD3HTR2A
SCHEMBL6027915 0.78 MAOB (0.47)
SCHEMBL3423761 0.78 MAOB (0.47)
SCHEMBL3427868 0.78 MAOB (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679649-B1 2,3-Dihydrobenzofuran Derivatives ASAHI CHEMICAL IND (JP) 2000-04-26 EP disclosed
US-5798382-A TREATING SEROTONERGIC NEURON-RELATED DISEASES ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1998-08-25 US disclosed
US-5792791-A FOR PREVENTION AND TREATMENT OF SEROTONERGIC NEURON-RELATED DISEASES; HYPOTENSIVE AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1998-08-11 US disclosed
EP-0769496-A1 NOVEL 2,3-DIHYDROBENZOFURAN DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1997-04-23 EP disclosed
EP-0679649-A1 2,3-DIHYDROBENZOFURAN DERIVATIVE Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-11-02 EP disclosed