SCHEMBL10664103

SCHEMBL10664103

COC(=O)c1ccc(CC(C)NCC(O)c2ccc(O)c(O)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 14/20 0.69
▸ CASP3 P42574 1/20 0.69
▸ CASP6 P55212 1/20 0.69
▸ ADRB1 P08588 9/20 0.58
▸ ADRB3 P13945 7/20 0.58
▸ TSHR P16473 5/20 0.58
▸ MAPK1 P28482 5/20 0.58
▸ CYP1A2 P05177 4/20 0.58
▸ CYP3A4 P08684 4/20 0.58
▸ DRD2 P14416 3/20 0.58
▸ ADRA1A P35348 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ DRD3 P35462 2/20 0.58
▸ CYP2D6 P10635 2/20 0.58
▸ PGR P06401 1/20 0.58
▸ SLC6A4 P31645 1/20 0.58
▸ PTGS2 P35354 1/20 0.58
▸ SLC6A3 Q01959 1/20 0.58
▸ MAPT P10636 5/20 0.56
▸ KDM4E B2RXH2 4/20 0.56

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
SCHEMBL10659948 0.91 ADRB2 (0.58) ADRB2CASP3CASP6ADRB1ADRB3
SCHEMBL10663303 0.91 ADRB2 (0.58) ADRB2CASP3CASP6ADRB1ADRB3
SCHEMBL10662533 0.89 ADRB2 (0.63) ADRB2CASP3CASP6ADRB1ADRB3
SCHEMBL9664001 0.89 ADRB2 (0.63) ADRB2CASP3CASP6ADRB1ADRB3
SCHEMBL10661718 0.89 ADRB2 (0.63) ADRB2CASP3CASP6ADRB1ADRB3
SCHEMBL10665374 0.87 ADRB2 (0.60) ADRB2CASP3CASP6ADRB1ADRB3
SCHEMBL10656501 0.86 ADRB2 (0.59) ADRB2CASP3CASP6ADRB1ADRB3
SCHEMBL10659393 0.85 ADRB2 (0.74) ADRB2ADRB1ADRB3TSHRMAPK1
SCHEMBL11810215 0.85 ADRB2 (0.73) ADRB2CASP3CASP6ADRB1ADRB3
SCHEMBL8986831 0.85 ADRB2 (0.68) ADRB2CASP3CASP6ADRB1ADRB3

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
Send feedback