SCHEMBL7697572

SCHEMBL7697572

O=C(NCc1ccc(F)cc1)N1CCC(S(=O)(=O)c2ccc(CCNCC(O)COc3ccc(O)cc3)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 18/20 0.75
ADRB3 P13945 18/20 0.75
ADRB2 P07550 5/20 0.54
LMNA P02545 1/20 0.50
NFKB1 P19838 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NR1I2 O75469 1/20 0.50
PTGS2 P35354 1/20 0.50

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
SCHEMBL7092786 1.00 ADRB1 (0.75) ADRB1ADRB3ADRB2LMNANFKB1
SCHEMBL7096001 0.87 ADRB3 (0.80) ADRB1ADRB3ADRB2LMNANFKB1
SCHEMBL7094015 0.86 ADRB1 (0.61) ADRB1ADRB3ADRB2
SCHEMBL7091566 0.86 ADRB3 (1.00) ADRB1ADRB3ADRB2
SCHEMBL7094287 0.86 ADRB3 (0.57) ADRB1ADRB3ADRB2
SCHEMBL7703076 0.85 ADRB3 (0.77) ADRB1ADRB3ADRB2
SCHEMBL7094213 0.85 ADRB3 (0.77) ADRB1ADRB3ADRB2
SCHEMBL7091417 0.85 ADRB3 (0.77) ADRB1ADRB3ADRB2
SCHEMBL7095333 0.85 ADRB3 (0.76) ADRB1ADRB3ADRB2LMNANFKB1
SCHEMBL7091306 0.80 ADRB3 (0.88) ADRB1ADRB3ADRB2LMNANFKB1

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
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed