SCHEMBL8823830

SCHEMBL8823830

C=CCN(CCC)C1COc2cccc(O)c2C1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.52
DRD3 P35462 1/20 0.52
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 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
SCHEMBL8823677 0.89 DRD2 (0.64) DRD2DRD3CYP1A2TSHR
Hydrochloric Acid SCHEMBL9786965 0.88 DRD2 (0.62) DRD2DRD3CYP1A2TSHR
Hydrochloric Acid SCHEMBL9619871 0.88 DRD2 (0.62) DRD2DRD3CYP1A2TSHR
SCHEMBL27671766 0.87 DRD2 (0.57) DRD2DRD3CYP1A2TSHR
SCHEMBL8823716 0.84 DRD2 (0.66) DRD2
SCHEMBL8823806 0.84 HTR1A (0.57) DRD2
SCHEMBL9441737 0.82 HTR1A (0.56) DRD2DRD3CYP1A2TSHR
SCHEMBL8823795 0.79 DRD2 (0.56) DRD2DRD3
SCHEMBL8823634 0.78 DRD2 (0.73) DRD2
SCHEMBL8823845 0.78 DRD2 (0.73) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656657-A Chroman derivatives ASTRA AKTIEBOLAG (SE) 1997-08-12 US disclosed
US-5656658-A Method for the treatment of anxiety ASTRA AKTIEBOLAG (SE) 1997-08-12 US disclosed
US-5650524-A Process for preparing (R)-3-amino-5-methoxychroman ASTRA AKTIEBOLAG (SE) 1997-07-22 US disclosed
US-5646309-A Intermediates in the synthesis of chroman derivatives ASTRA AKTIEBOLAG (SE) 1997-07-08 US disclosed
US-5641807-A Method for the treatment of depression ASTRA AKTIEBOLAG (SE) 1997-06-24 US disclosed
US-5639784-A ADMINISTERING 3-AMINO-5-CARBAMOYL-CHROMENES AND DERIVATIVES ASTRA AKTIEBOLAG (SE) 1997-06-17 US disclosed
US-5639772-A Chroman derivatives ASTRA AKTIEBOLAG (SE) 1997-06-17 US disclosed
US-5500425-A Chroman derivatives and a method of treating 5-HT mediated disorders AKTIEBOLAGET ASTRA (SE) 1996-03-19 US disclosed
US-5420151-A Chroman derivatives AKTIEBOLAGET ASTRA (SE) 1995-05-30 US disclosed