SCHEMBL8447239

SCHEMBL8447239

CCCN(CCC)C1COc2cccc(C(=O)NC)c2C1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.58

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
SCHEMBL7768634 0.87 DRD2 (0.75) DRD2
SCHEMBL8823630 0.86 DRD2 (0.58) DRD2
Hydrochloric Acid SCHEMBL8823814 0.86 DRD2 (0.77) DRD2
SCHEMBL8453594 0.86 HTR1A (0.63) DRD2
SCHEMBL27295529 0.86 DRD2 (0.60) DRD2
Hydrochloric Acid SCHEMBL8823831 0.85 DRD2 (0.59) DRD2
SCHEMBL8823564 0.85 DRD2 (0.59) DRD2
SCHEMBL8823668 0.84 DRD2 (0.64) DRD2
SCHEMBL8823844 0.84 DRD2 (0.58) DRD2
SCHEMBL8823741 0.84 DRD2 (0.58) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2879972-B2 1999-04-05 JP claimed
EP-0460169-B1 NEW CHROMAN AND THIOCHROMAN DERIVATIVES ASTRA AB (SE) 1996-06-05 EP claimed
WO-1991009853-A1 NEW CHROMAN AND THIOCHROMAN DERIVATIVES AKTIEBOLAGET ASTRA (SE) 1991-07-11 WO claimed
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-5639772-A Chroman derivatives ASTRA AKTIEBOLAG (SE) 1997-06-17 US disclosed
US-5639784-A ADMINISTERING 3-AMINO-5-CARBAMOYL-CHROMENES AND DERIVATIVES ASTRA AKTIEBOLAG (SE) 1997-06-17 US disclosed
EP-0460169-B1 NEW CHROMAN AND THIOCHROMAN DERIVATIVES ASTRA AB (SE) 1996-06-05 EP 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
EP-0460169-A1 NEW CHROMAN AND THIOCHROMAN DERIVATIVES. ASTRA AB (SE) 1991-12-11 EP disclosed
WO-1991009853-A1 NEW CHROMAN AND THIOCHROMAN DERIVATIVES AKTIEBOLAGET ASTRA (SE) 1991-07-11 WO disclosed