SCHEMBL6740959

SCHEMBL6740959

CCOC(=O)C(C)(C)Nc1ccc(CCN[C@@H](C)[C@@H](O)c2ccc(O)cc2)c(Cl)c1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 7/20 0.52
ADRB2 P07550 2/20 0.44
LMNA P02545 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
OPRM1 P35372 2/20 0.44
CYP2D6 P10635 1/20 0.44
HIF1A Q16665 1/20 0.44
GALR3 O60755 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRK1 P41145 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL6740955 1.00 ADRB3 (0.52) ADRB3ADRB2LMNASLC6A2SLC6A4
SCHEMBL7871210 1.00 ADRB3 (0.52) ADRB3ADRB2LMNASLC6A2SLC6A4
SCHEMBL6741982 0.88 ADRB3 (0.50) ADRB3ADRB2LMNASLC6A2SLC6A4
SCHEMBL6741988 0.88 ADRB3 (0.50) ADRB3ADRB2LMNASLC6A2SLC6A4
SCHEMBL6743329 0.84 ADRB3 (0.52) ADRB3ADRB2LMNASLC6A2SLC6A4
SCHEMBL6743336 0.84 ADRB3 (0.52) ADRB3ADRB2LMNASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6743458 0.83 ADRB3 (0.53) ADRB3ADRB2LMNASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6743462 0.83 ADRB3 (0.53) ADRB3ADRB2LMNASLC6A2SLC6A4
SCHEMBL6579561 0.78 ADRB3 (0.68) ADRB3ADRB2LMNASLC6A2SLC6A4
SCHEMBL6579553 0.78 ADRB3 (0.68) ADRB3ADRB2LMNASLC6A2SLC6A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696489-B1 PHENOLIC AND PHENYLAMINO SUBSTITUENTS; BETA 3-ADRENOCEPTOR AGONISTS; OBESITY, HYPERGLYCEMIA, INTESTINAL HYPERMOTILITY, POLLAKIURIA, URINARY INCONTINENCE, DEPRESSION KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-02-24 US disclosed