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Sugi Predict / Compounds / SCHEMBL8286046

SCHEMBL8286046

SCHEMBL8286046

COC(=O)Cc1cc(O[C@@H]2C[C@H]3C(=O)N[C@]4(C(=O)OC)CC4/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N3C2)c2ccc(O)cc2n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ CYP3A4 P08684 2/20 0.40
▸ CTSB P07858 1/20 0.36
▸ PDE4B Q07343 3/20 0.32
▸ CTSS P25774 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
SCHEMBL14049427 0.94 ADRB3 (0.51) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL8286044 0.89 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL14031195 0.85 ADRB3 (0.52) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL13915585 0.85 ADRB3 (0.52) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL14049430 0.83 ADRB3 (0.47) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL14049482 0.81 ADRB3 (0.46) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL13927459 0.80 ADRB3 (0.48) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL14049098 0.80 ADRB3 (0.39) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL10060874 0.79 ADRB3 (0.63) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL3809694 0.79 ADRB3 (0.49) ADRB3ADRA2BADRA2CCYP3A4CTSB

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-2005051980-A1 DEPEPTIDIZED INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE SCHERING CORPORATION (US) 2005-06-09 — — WO disclosed
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