SCHEMBL6994638

SCHEMBL6994638

COc1ccc(N2CCN(CCCN3CCC(=NO)c4ccn(C)c4C3=O)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.59
DRD2 P14416 8/20 0.47
HTR1A P08908 4/20 0.47
HTR2A P28223 3/20 0.47
HTR6 P50406 2/20 0.47
HSD17B10 Q99714 1/20 0.46
DRD4 P21917 3/20 0.46
DRD1 P21728 1/20 0.46
HTR7 P34969 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6994634 1.00 DRD3 (0.59) DRD3DRD2HTR1AHTR2AHTR6
SCHEMBL6993732 0.90 DRD2 (0.59) DRD3DRD2HTR1AHTR2AHTR6
SCHEMBL6993734 0.90 DRD2 (0.59) DRD3DRD2HTR1AHTR2AHTR6
SCHEMBL6989849 0.89 KDM4E (0.47) DRD3DRD2DRD4
SCHEMBL6989852 0.89 KDM4E (0.47) DRD3DRD2DRD4
SCHEMBL6992608 0.89 HTR1A (0.48) DRD3DRD2HTR1AHTR2ADRD4
SCHEMBL6992602 0.89 HTR1A (0.48) DRD3DRD2HTR1AHTR2ADRD4
SCHEMBL6988326 0.88 DRD3 (0.64) DRD3DRD2HTR1AHTR2AHTR6
SCHEMBL6989075 0.87 HTR1A (0.49) DRD3DRD2HTR1AHTR2AHTR6
SCHEMBL6989077 0.87 HTR1A (0.49) DRD3DRD2HTR1AHTR2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0557526-B1 PYRROLOAZEPINE COMPOUND SUNTORY LTD (JP) 2003-04-02 EP disclosed
US-5399557-A Cardiovascular disorders SUNTORY LIMITED (JP) 1995-03-21 US disclosed
EP-0557526-A1 PYRROLOAZEPINE COMPOUND SUNTORY LIMITED (JP) 1993-09-01 EP disclosed