SCHEMBL10657631

SCHEMBL10657631

CC(CCc1ccc(C(=O)O)cc1)NCC(O)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 10/20 0.73
ADRB3 P13945 10/20 0.73
ADRB2 P07550 5/20 0.63
ADRA1D P25100 3/20 0.57
ADRA1A P35348 3/20 0.57
ADRA1B P35368 3/20 0.57
CYP2D6 P10635 2/20 0.57
ADRA2A P08913 2/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
HTR1A P08908 1/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
OPRM1 P35372 1/20 0.57
DRD3 P35462 1/20 0.57
HTR2B P41595 1/20 0.57
SLC6A3 Q01959 1/20 0.57

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
SCHEMBL10725864 0.90 DPP4 (0.66) ADRB1ADRB3ADRB2ADRA1DADRA1A
SCHEMBL10730093 0.90 DPP4 (0.66) ADRB1ADRB3ADRB2ADRA1DADRA1A
SCHEMBL11464633 0.90 DPP4 (0.66) ADRB1ADRB3ADRB2ADRA1DADRA1A
SCHEMBL10563338 0.90 ADRB2 (0.60) ADRB1ADRB3ADRB2ADRA1DADRA1A
SCHEMBL11465017 0.90 ADRB2 (0.60) ADRB1ADRB3ADRB2ADRA1DADRA1A
SCHEMBL9006829 0.90 DPP4 (0.66) ADRB1ADRB3ADRB2ADRA1DADRA1A
SCHEMBL9006838 0.90 DPP4 (0.66) ADRB1ADRB3ADRB2ADRA1DADRA1A
SCHEMBL10876026 0.90 DPP4 (0.66) ADRB1ADRB3ADRB2ADRA1DADRA1A
SCHEMBL11465016 0.90 ADRB2 (0.60) ADRB1ADRB3ADRB2ADRA1DADRA1A
SCHEMBL9006817 0.90 DPP4 (0.66) ADRB1ADRB3ADRB2ADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4753962-A HYPOGLYCEMIC, ANTIOBESITY AGENT BEECHAM GROUP P.L.C. (GB) 1988-06-28 US disclosed
US-4654371-A ANTI-OBESITY, HYPOGLYCEMIA AGENTS BEECHAM GROUP P.L.C. (GB) 1987-03-31 US disclosed
US-4478849-A HYPERGLYCEMIC AGENTS BEECHAM GROUP LIMITED (GB) 1984-10-23 US disclosed
EP-0006735-B1 SECONDARY AMINES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE BEECHAM GROUP PLC (GB) 1983-06-15 EP disclosed
EP-0006735-A1 Secondary amines, their preparation, pharmaceutical compositions containing them and their use BEECHAM GROUP PLC (GB) 1980-01-09 EP disclosed