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SCHEMBL13896376

SCHEMBL13896376

CC(C)(C)OC(=O)NC1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)O)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4ccccc4C4(CCC4)C3)CN2C1=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ CYP3A4 P08684 2/20 0.33
▸ RAMP1 O60894 3/20 0.31
▸ CALCRL Q16602 3/20 0.31
▸ KDM1A O60341 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
SCHEMBL8294633 1.00 ADRB3 (0.43) ADRB3ADRA2BADRA2CCYP3A4RAMP1
SCHEMBL3969604 0.94 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4RAMP1
SCHEMBL13923927 0.94 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4RAMP1
SCHEMBL3969606 0.94 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4RAMP1
SCHEMBL3969600 0.94 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4RAMP1
SCHEMBL3799238 0.92 ADRB3 (0.46) ADRB3ADRA2BADRA2CCYP3A4RAMP1
SCHEMBL3799240 0.92 ADRB3 (0.46) ADRB3ADRA2BADRA2CCYP3A4RAMP1
SCHEMBL13818335 0.92 ADRB3 (0.46) ADRB3ADRA2BADRA2CCYP3A4RAMP1
SCHEMBL1655063 0.92 ADRB3 (0.46) ADRB3ADRA2BADRA2CCYP3A4RAMP1
SCHEMBL1655060 0.92 ADRB3 (0.46) ADRB3ADRA2BADRA2CCYP3A4RAMP1

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
EP-1680137-B1 Macrocyclic carboxylic acid and acylsulfonamide compound as inhibitor of HCV replication HOFFMANN LA ROCHE (CH) 2012-11-21 — — EP disclosed
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