SCHEMBL8823797

SCHEMBL8823797

COc1cccc2c1CCCO2.c1ccc(CNCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.48
DRD2 P14416 1/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SIGMAR1 Q99720 2/20 0.42
P2RX7 Q99572 1/20 0.41
CXCR4 P61073 1/20 0.40
ACHE P22303 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
Hydrochloric Acid SCHEMBL8823770 0.99 BCHE (0.47) BCHEDRD2KMT2AKDM4EMEN1
SCHEMBL8823764 0.85 ACHE (0.49) DRD2ACHE
SCHEMBL8823731 0.81 KDM4E (0.43) KMT2AKDM4EMEN1ALDH1A1
SCHEMBL8823657 0.80 PKM (0.45) DRD2ALDH1A1
SCHEMBL8883322 0.71 KDM4E (0.70) BCHEKMT2AKDM4EMEN1ALDH1A1
SCHEMBL6621347 0.70 MTNR1A (0.44) KMT2AKDM4EMEN1ALDH1A1
SCHEMBL9456629 0.70 MTNR1A (0.44) KMT2AKDM4EMEN1ALDH1A1CYP2D6
SCHEMBL16659183 0.69 HTR2C (0.37) ACHE
SCHEMBL29054671 0.69 MTNR1A (0.41) DRD2ACHE
SCHEMBL8879501 0.69 BCHE (0.78) BCHEKMT2AKDM4EMEN1ALDH1A1

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