SCHEMBL7864544

SCHEMBL7864544

COc1cccc2c(CC(C)NC(=O)C(O)c3cccc(Cl)c3)c[nH]c12

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.70
ADRB1 P08588 11/20 0.70
ADRB2 P07550 8/20 0.70

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
SCHEMBL7859235 0.82 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL6906026 0.82 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL7782074 0.81 ADRB3 (0.71) ADRB3ADRB1ADRB2
SCHEMBL8867845 0.78 ACACB (0.47) ADRB3ADRB1ADRB2
SCHEMBL8867839 0.78 ACACB (0.47) ADRB3ADRB1ADRB2
SCHEMBL6906032 0.75 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL7865755 0.75 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL8999624 0.74 ADRB3 (0.72) ADRB3ADRB1ADRB2
SCHEMBL5487743 0.74 ADRB3 (0.81) ADRB3ADRB1ADRB2
Rafabegron SCHEMBL678589 0.74 ADRB3 (1.00) ADRB3ADRB1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0801059-B1 INDOLE DERIVATIVE DAINIPPON PHARMACEUTICAL CO (JP) 2001-06-27 EP disclosed
EP-0801059-A1 INDOLE DERIVATIVE DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1997-10-15 EP disclosed