SCHEMBL8765616

SCHEMBL8765616

CCOC(=O)C(Oc1ccc2c(c1)CCCC(NCc1ccccc1)C2)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.46
ADRB3 P13945 2/20 0.46
KDM4E B2RXH2 3/20 0.45
SIGMAR1 Q99720 1/20 0.41
DRD2 P14416 1/20 0.41
FYN P06241 1/20 0.40
ALOX15 P16050 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP13 P45452 1/20 0.40
ADRB1 P08588 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPY5R Q15761 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
SCHEMBL8765904 0.87 ADRB3 (0.49) GRIN2BADRB3KDM4ESIGMAR1DRD2
SCHEMBL8765124 0.85 ADRB3 (0.59) GRIN2BADRB3KDM4EALOX15NPC1
SCHEMBL8765648 0.82 ADRB3 (0.64) GRIN2BADRB3KDM4EFYNALOX15
SCHEMBL5143758 0.82 ADRB3 (0.64) GRIN2BADRB3KDM4EFYNALOX15
SCHEMBL388799 0.81 GRIN2B (0.56) GRIN2BSIGMAR1DRD2NPY5R
Hydrochloric Acid SCHEMBL8765990 0.81 ADRB3 (0.63) GRIN2BADRB3KDM4EFYNALOX15
Hydrochloric Acid SCHEMBL8765363 0.81 ADRB3 (0.63) GRIN2BADRB3KDM4EFYNALOX15
Hydrochloric Acid SCHEMBL8765375 0.81 ADRB3 (0.63) GRIN2BADRB3KDM4EFYNALOX15
SCHEMBL9513685 0.80 GRIN2B (0.51) GRIN2BDRD2FYN
SCHEMBL5141962 0.80 GRIN2B (0.52) GRIN2BADRB3SIGMAR1DRD2FYN

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