SCHEMBL8765893

SCHEMBL8765893

CCOC(=O)C(C)(C)Oc1ccc2c(c1)CC(NCc1ccccc1)CCC2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 2/20 0.46
GRIN2B Q13224 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PPARA Q07869 3/20 0.42
PPARG P37231 2/20 0.42
NPY5R Q15761 2/20 0.42
FYN P06241 1/20 0.41
DRD2 P14416 4/20 0.40
DRD3 P35462 3/20 0.40
HTR1D P28221 1/20 0.40
ABCB11 O95342 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.40
PMP22 Q01453 1/20 0.40
ADRB1 P08588 1/20 0.40
SIGMAR1 Q99720 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
SCHEMBL9515221 0.94 GRIN2B (0.50) GRIN2BPPARAPPARGFYNDRD2
SCHEMBL9304521 0.94 GRIN2B (0.50) GRIN2BPPARAPPARGFYNDRD2
SCHEMBL9514827 0.94 GRIN2B (0.50) GRIN2BPPARAPPARGFYNDRD2
Hydrochloric Acid SCHEMBL9305478 0.94 GRIN2B (0.49) GRIN2BPPARAPPARGFYNDRD2
Hydrochloric Acid SCHEMBL9305469 0.94 GRIN2B (0.49) GRIN2BPPARAPPARGFYNDRD2
Oxalic Acid SCHEMBL9303696 0.93 GRIN2B (0.48) GRIN2BKDM4EPPARAPPARGFYN
SCHEMBL8765323 0.89 MAPK1 (0.47) ADRB3GRIN2BKDM4ENPY5RFYN
SCHEMBL9305365 0.83 GRIN2B (0.55) ADRB3GRIN2BFYNDRD2DRD3
SCHEMBL8765648 0.83 ADRB3 (0.64) ADRB3GRIN2BKDM4ENPY5RFYN
SCHEMBL8765904 0.83 ADRB3 (0.49) ADRB3GRIN2BKDM4ENPY5RFYN

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