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SCHEMBL14438723

SCHEMBL14438723

COC(=O)c1cc(OC2C[C@H]3C(=O)N[C@H](C(=O)OC)CCC=CCCCCC[C@H](NC(=O)NC4(CS(=O)(=O)C(C)(C)C)CCCCC4)C(=O)N3C2)c2ccc(OC)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ CTSB P07858 1/20 0.35
▸ CYP3A4 P08684 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
SCHEMBL14031130 1.00 ADRB3 (0.36) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL14438724 0.89 ADRB3 (0.45) ADRB3ADRA2BADRA2CCTSB
SCHEMBL8284935 0.86 ADRB3 (0.35) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL14031126 0.85 ADRB3 (0.40) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL14438722 0.85 ADRB3 (0.40) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL10227270 0.85 ADRB3 (0.46) ADRB3ADRA2BADRA2CCTSB
SCHEMBL8284936 0.85 ADRB3 (0.46) ADRB3ADRA2BADRA2CCTSB
SCHEMBL14031129 0.85 ADRB3 (0.46) ADRB3ADRA2BADRA2CCTSB
SCHEMBL14049361 0.82 ADRB3 (0.46) ADRB3ADRA2BADRA2CCTSB
SCHEMBL14453529 0.82 ADRB3 (0.45) ADRB3ADRA2BADRA2CCTSB

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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