SCHEMBL8765648

SCHEMBL8765648

CCOC(=O)COc1ccc2c(c1)C[C@@H](NCc1ccccc1)CCC2

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 2/20 0.64
NPY5R Q15761 1/20 0.55
POLB P06746 1/20 0.47
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 2/20 0.45
ALOX12 P18054 1/20 0.45
GRIN2B Q13224 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ADRB1 P08588 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FYN P06241 1/20 0.42

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
SCHEMBL5143758 1.00 ADRB3 (0.64) ADRB3NPY5RPOLBKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL8765363 0.99 ADRB3 (0.63) ADRB3NPY5RPOLBKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL8765375 0.99 ADRB3 (0.63) ADRB3NPY5RPOLBKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL8765990 0.99 ADRB3 (0.63) ADRB3NPY5RPOLBKDM4ESMN1; SMN2
SCHEMBL8766365 0.97 ADRB3 (0.61) ADRB3NPY5RPOLBKDM4ESMN1; SMN2
SCHEMBL8765124 0.96 ADRB3 (0.59) ADRB3NPY5RPOLBKDM4ESMN1; SMN2
SCHEMBL9443702 0.94 ADRB3 (0.56) ADRB3NPY5RPOLBGRIN2BADRB1
Hydrochloric Acid SCHEMBL9443699 0.93 ADRB3 (0.56) ADRB3NPY5RPOLBGRIN2BADRB1
SCHEMBL5143979 0.89 ADRB3 (0.51) ADRB3NPY5RKDM4ESMN1; SMN2HPGD
SCHEMBL5146479 0.86 GRIN2B (0.48) ADRB3KDM4ESMN1; SMN2HPGDALOX12

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 3 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
WO-1993015041-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-05 WO disclosed