SCHEMBL8765323

SCHEMBL8765323

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
MAPK14 Q16539 1/20 0.47
GRIN2B Q13224 4/20 0.47
FYN P06241 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
ADRB3 P13945 2/20 0.42
ADRB1 P08588 1/20 0.42
DRD2 P14416 2/20 0.42
KDM4E B2RXH2 3/20 0.42
NPY5R Q15761 1/20 0.41
HTR1D P28221 1/20 0.41
DRD3 P35462 1/20 0.41
ACHE P22303 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL9305365 0.94 GRIN2B (0.55) MAPK1MAPK14GRIN2BFYNADRB3
SCHEMBL8765893 0.89 ADRB3 (0.46) GRIN2BFYNSIGMAR1ADRB3ADRB1
SCHEMBL9515221 0.83 GRIN2B (0.50) GRIN2BFYNDRD2HTR1DDRD3
SCHEMBL9514827 0.83 GRIN2B (0.50) GRIN2BFYNDRD2HTR1DDRD3
SCHEMBL9304521 0.83 GRIN2B (0.50) GRIN2BFYNDRD2HTR1DDRD3
SCHEMBL5143979 0.83 ADRB3 (0.51) GRIN2BFYNADRB3ADRB1KDM4E
SCHEMBL8765599 0.82 DRD2 (0.57) GRIN2BFYNSIGMAR1DRD2NPY5R
SCHEMBL5143730 0.82 DRD2 (0.57) GRIN2BFYNSIGMAR1DRD2NPY5R
Hydrochloric Acid SCHEMBL9305478 0.82 GRIN2B (0.49) GRIN2BFYNDRD2HTR1DDRD3
Hydrochloric Acid SCHEMBL9305469 0.82 GRIN2B (0.49) GRIN2BFYNDRD2HTR1DDRD3

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