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SCHEMBL8294158

SCHEMBL8294158

O=C(N[C@H]1CCCC/C=C\[C@@H]2C[C@@]2(C(=O)O)NC(=O)[C@@H]2C[C@@H](OC(=O)N3CCc4ccccc4C3)CN2C1=O)OC1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.47
▸ ADRA2B P18089 1/20 0.47
▸ ADRA2C P18825 1/20 0.47
▸ BCL2 P10415 3/20 0.31
▸ POLB P06746 1/20 0.30

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
SCHEMBL8279027 0.99 ADRB3 (0.48) ADRB3ADRA2BADRA2CBCL2POLB
SCHEMBL3974753 0.99 ADRB3 (0.48) ADRB3ADRA2BADRA2CBCL2POLB
SCHEMBL3974750 0.99 ADRB3 (0.48) ADRB3ADRA2BADRA2CBCL2POLB
SCHEMBL3969647 0.96 ADRB3 (0.46) ADRB3ADRA2BADRA2CPOLB
SCHEMBL13610357 0.96 ADRB3 (0.46) ADRB3ADRA2BADRA2CPOLB
SCHEMBL4212063 0.96 ADRB3 (0.46) ADRB3ADRA2BADRA2CPOLB
SCHEMBL4212067 0.96 ADRB3 (0.46) ADRB3ADRA2BADRA2CPOLB
SCHEMBL8279038 0.96 ADRB3 (0.46) ADRB3ADRA2BADRA2CPOLB
SCHEMBL3974766 0.96 ADRB3 (0.50) ADRB3ADRA2BADRA2CBCL2POLB
SCHEMBL3974770 0.96 ADRB3 (0.50) ADRB3ADRA2BADRA2CBCL2POLB

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-2005037214-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION INTERMUNE, INC. (US) 2005-04-28 — — WO disclosed
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