SCHEMBL6583201

SCHEMBL6583201

Cc1ccc(OCCCN2CCN(Cc3ncc4ccccc4n3)CC2)c2c1NC(=O)CC2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.41
HTR1A P08908 8/20 0.41
HTR2A P28223 5/20 0.41
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A4 P31645 2/20 0.37
DRD4 P21917 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
DRD3 P35462 1/20 0.37
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL6585521 0.88 HTR1A (0.42) DRD2HTR1AHTR2AMAOAMAOB
SCHEMBL6582486 0.85 DRD2 (0.41) DRD2HTR1AHTR2AMAOAMAOB
SCHEMBL6582756 0.85 DRD2 (0.45) DRD2HTR1AHTR2AMAOAMAOB
SCHEMBL6584231 0.84 DRD2 (0.44) DRD2HTR1AHTR2AMAOAMAOB
SCHEMBL6583995 0.83 MEN1 (0.46) DRD2HTR1AHTR2AMEN1MAPT
SCHEMBL6585890 0.83 DRD2 (0.43) DRD2HTR1AHTR2AMAOAMAOB
SCHEMBL6584451 0.83 HTR1A (0.37) DRD2HTR1AHTR2AMEN1MAPT
SCHEMBL6587330 0.82 DRD2 (0.43) DRD2HTR1AHTR2AMAOAMAOB
SCHEMBL6585920 0.81 MEN1 (0.43) DRD2HTR1AHTR2AMEN1MAPT
SCHEMBL7508953 0.80 DRD2 (0.38) DRD2HTR1AHTR2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957100-B1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME KOWA CO (JP) 2004-10-27 EP disclosed
EP-0957100-A1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME Kowa Co., Ltd. (JP) 1999-11-17 EP disclosed