SCHEMBL2158325

SCHEMBL2158325

O=C1NC2(C(=O)O)CC2C=CCCCCCCC(=O)N2CC(O)CC12

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34

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
SCHEMBL8185437 0.86 ADRB3 (0.31) ADRB3ADRA2BADRA2C
SCHEMBL12730850 0.84 ADRB3 (0.39) ADRB3ADRA2BADRA2C
SCHEMBL12777041 0.84 ADRB3 (0.39) ADRB3ADRA2BADRA2C
SCHEMBL16512401 0.84 ADRB3 (0.38) ADRB3ADRA2BADRA2C
SCHEMBL8247428 0.83 PSMB9 (0.34) ADRB3ADRA2BADRA2C
SCHEMBL16628832 0.83 ADRB3 (0.33) ADRB3ADRA2BADRA2C
SCHEMBL16628833 0.83 ADRB3 (0.33) ADRB3ADRA2BADRA2C
SCHEMBL7873466 0.80 ADRB3 (0.40) ADRB3ADRA2BADRA2C
SCHEMBL12618532 0.79 ADRB3 (0.52) ADRB3ADRA2BADRA2C
SCHEMBL12652957 0.79 ADRB3 (0.52) ADRB3ADRA2BADRA2C

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
EP-2340029-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2011-07-06 — — EP disclosed
WO-2010030359-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARJMACEUTICALS, INC. (US) 2010-03-18 — — WO disclosed
Send feedback