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SCHEMBL14049100

SCHEMBL14049100

COC(=O)Cc1cc(O[C@@H]2C[C@H]3C(=O)N[C@H](CC(=O)OC)CCC=CCCCCC[C@H](N)C(=O)N3C2)c2ccc(OC)cc2n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.34
▸ ADRB3 P13945 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ ABCG2 Q9UNQ0 2/20 0.30
▸ ABCB1 P08183 1/20 0.30
▸ ABCC1 P33527 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
SCHEMBL8286931 1.00 CTSB (0.34) CTSBADRB3ADRA2BADRA2CABCG2
SCHEMBL14049098 0.88 ADRB3 (0.39) CTSBADRB3ADRA2BADRA2CABCG2
SCHEMBL14049430 0.84 ADRB3 (0.47) CTSBADRB3ADRA2BADRA2C
SCHEMBL8284935 0.84 ADRB3 (0.35) CTSBADRB3ADRA2BADRA2C
SCHEMBL8286044 0.77 ADRB3 (0.45) CTSBADRB3ADRA2BADRA2C
SCHEMBL14049427 0.74 ADRB3 (0.51) CTSBADRB3ADRA2BADRA2C
SCHEMBL13915584 0.74 ADRB3 (0.48) CTSBADRB3ADRA2BADRA2C
SCHEMBL14031104 0.74 ADRB3 (0.48) CTSBADRB3ADRA2BADRA2C
SCHEMBL14453529 0.72 ADRB3 (0.45) CTSBADRB3ADRA2BADRA2CABCG2
SCHEMBL7873894 0.72 CTSB (0.58) CTSBADRB3ADRA2BADRA2C

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
US-7442695-B2 Depeptidized inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2008-10-28 — — US disclosed
WO-2005051980-A1 DEPEPTIDIZED INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE SCHERING CORPORATION (US) 2005-06-09 — — WO disclosed
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