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SCHEMBL14438722

SCHEMBL14438722

COC(=O)c1cc(OC2C[C@H]3C(=O)N[C@H](C(=O)OC)CCC=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N3C2)c2ccc(OC)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ CTSB P07858 1/20 0.34
▸ PDE4B Q07343 3/20 0.33
▸ CYP3A4 P08684 3/20 0.32
▸ ABCG2 Q9UNQ0 2/20 0.31
▸ ABCB1 P08183 1/20 0.31
▸ ABCC1 P33527 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
SCHEMBL14031126 1.00 ADRB3 (0.40) ADRB3ADRA2BADRA2CCTSBPDE4B
SCHEMBL14438723 0.85 ADRB3 (0.36) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL14031130 0.85 ADRB3 (0.36) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL13915585 0.85 ADRB3 (0.52) ADRB3ADRA2BADRA2CCTSBPDE4B
SCHEMBL14031195 0.85 ADRB3 (0.52) ADRB3ADRA2BADRA2CCTSBPDE4B
SCHEMBL14049098 0.83 ADRB3 (0.39) ADRB3ADRA2BADRA2CCTSBPDE4B
SCHEMBL13915582 0.79 ADRB3 (0.58) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL14031132 0.78 GAA (0.35) PDE4B
SCHEMBL14049427 0.76 ADRB3 (0.51) ADRB3ADRA2BADRA2CCTSBPDE4B
SCHEMBL5155411 0.76 ADRB3 (0.58) ADRB3ADRA2BADRA2CCTSBABCG2

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-7253160-B2 Depeptidized inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2007-08-07 — — US disclosed
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