SCHEMBL8765905

SCHEMBL8765905

COc1cccc(CC(N)CCC(=O)OC(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.52
SLC7A5 Q01650 1/20 0.44
CYP1A2 P05177 1/20 0.43
CTSK P43235 1/20 0.41
CACNA1B Q00975 1/20 0.41
IDO1 P14902 1/20 0.40
AGXT P21549 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTBP2 P56545 1/20 0.40
MMP13 P45452 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL8765558 0.82 TAAR1 (0.43) TAAR1CYP1A2CTSKCACNA1BHDAC1
SCHEMBL8766759 0.81 MTNR1A (0.44) TAAR1CTSKCACNA1BMEN1KMT2A
SCHEMBL29059722 0.80 HDAC1 (0.52) TAAR1CYP1A2HDAC1HDAC6ALDH1A1
SCHEMBL23231470 0.78 HDAC1 (0.56) TAAR1CYP1A2HDAC1HDAC6
SCHEMBL27578835 0.77 CTBP2 (0.55) CYP1A2ALDH1A1HTTSMN1; SMN2CTBP2
SCHEMBL2026436 0.77 PPARA (0.48) TAAR1SLC7A5CYP1A2CACNA1BCTBP2
SCHEMBL2026435 0.77 PPARA (0.48) TAAR1SLC7A5CYP1A2CACNA1BCTBP2
SCHEMBL13349249 0.76 TAAR1 (0.68) TAAR1IDO1AGXT
SCHEMBL27397323 0.75 ITGA4 (0.47) TAAR1CACNA1BIDO1ALDH1A1HTT
SCHEMBL13225835 0.75 HDAC1 (0.47) TAAR1CYP1A2HDAC1HDAC6

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