SCHEMBL8765840

SCHEMBL8765840

COc1ccc2c(c1)CC(N1C(=O)c3ccccc3C1=O)CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.46
DRD3 P35462 7/20 0.46
DRD1 P21728 7/20 0.45
DRD5 P21918 6/20 0.45
DRD4 P21917 5/20 0.45
PARP1 P09874 1/20 0.43
MTNR1B P49286 2/20 0.43
MTNR1A P48039 1/20 0.43
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41
HTR1A P08908 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL8765836 1.00 DRD2 (0.46) DRD2DRD3DRD1DRD5DRD4
SCHEMBL6406230 0.93 DRD2 (0.51) DRD2DRD3DRD4PARP1MTNR1B
SCHEMBL6406234 0.93 DRD2 (0.51) DRD2DRD3DRD4PARP1MTNR1B
SCHEMBL3972863 0.88 CYP11B2 (0.48) DRD2DRD3DRD1DRD5DRD4
SCHEMBL3973868 0.87 HTR2A (0.47) PARP1HTR2AHTR2CHTR2BACHE
SCHEMBL12761146 0.73 ALDH1A1 (0.63) ACHEKDM4EALDH1A1NPSR1
SCHEMBL17362473 0.72 ALDH1A1 (0.45) HTR2BALDH1A1
SCHEMBL17362471 0.72 ALDH1A1 (0.45) HTR2BALDH1A1
SCHEMBL29799384 0.72 ALDH1A1 (0.45) HTR2BALDH1A1
SCHEMBL10427160 0.72 ACHE (0.57) DRD2DRD3DRD1DRD5DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0583485-B1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-13 EP disclosed
US-5387710-A Ethanolamine derivatives having sympathomimetic and anti-pollakiuria activities FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-07 US disclosed
EP-0583485-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES. FUJISAWA PHARMACEUTICAL CO (JP) 1994-02-23 EP disclosed
WO-1993015041-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-05 WO disclosed