SCHEMBL10508374

SCHEMBL10508374

COC(=O)c1ccc(CC(C)NC[C@@H](O)c2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.77
ADRB1 P08588 11/20 0.77
ADRB2 P07550 10/20 0.56
CASP3 P42574 1/20 0.56
CASP6 P55212 1/20 0.56
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
GLA P06280 1/20 0.53

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
SCHEMBL7153666 1.00 ADRB3 (0.77) ADRB3ADRB1ADRB2CASP3CASP6
SCHEMBL9006725 1.00 ADRB3 (0.77) ADRB3ADRB1ADRB2CASP3CASP6
SCHEMBL11174788 1.00 ADRB3 (0.77) ADRB3ADRB1ADRB2CASP3CASP6
SCHEMBL7153662 1.00 ADRB3 (0.77) ADRB3ADRB1ADRB2CASP3CASP6
SCHEMBL11172401 1.00 ADRB3 (0.77) ADRB3ADRB1ADRB2CASP3CASP6
SCHEMBL29389524 0.90 ADRB1 (0.64) ADRB3ADRB1ADRB2CASP3CASP6
SCHEMBL10776036 0.90 ADRB3 (0.73) ADRB3ADRB1ADRB2CASP3CASP6
SCHEMBL7143110 0.89 ADRB1 (0.95) ADRB3ADRB1ADRB2CASP3CASP6
SCHEMBL9006683 0.89 ADRB1 (0.95) ADRB3ADRB1ADRB2CASP3CASP6
SCHEMBL7143114 0.89 ADRB1 (0.95) ADRB3ADRB1ADRB2CASP3CASP6

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
US-4803293-A Tertiary amines BEECHAM GROUP PLC (GB) 1989-02-07 US disclosed
EP-0142102-B1 TERTIARY AMINES BEECHAM GROUP PLC (GB) 1987-09-23 EP disclosed
US-4593023-A Antiobesity, hypoglycemic agent BEECHAM GROUP P.L.C. (GB) 1986-06-03 US disclosed