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SCHEMBL14586266

SCHEMBL14586266

COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N4C3)nccc2c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.46
▸ ADRB3 P13945 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ CTSB P07858 2/20 0.35
▸ GRM4 Q14833 9/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ BTK Q06187 1/20 0.31

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
SCHEMBL3703484 0.97 ADRB3 (0.45) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL3703490 0.97 ADRB3 (0.45) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL3703481 0.97 ADRB3 (0.45) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL3702236 0.93 CYP3A4 (0.46) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL14586265 0.93 CYP3A4 (0.46) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL3702238 0.93 CYP3A4 (0.46) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL14586240 0.92 CYP3A4 (0.45) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL3696542 0.91 CYP3A4 (0.51) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL14586264 0.91 CYP3A4 (0.51) CYP3A4ADRB3ADRA2BADRA2CCTSB
SCHEMBL13757826 0.90 ADRB3 (0.54) CYP3A4ADRB3ADRA2BADRA2CCTSB

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
US-7173004-B2 Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US disclosed
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