SCHEMBL7923887

SCHEMBL7923887

O=C1N[C@]2(C(=O)O)C[C@H]2/C=C\CCCCOCC(=O)N2CCC[C@@H]12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PSMB9 P28065 5/20 0.32
▸ PPIA P62937 3/20 0.32
▸ ADRB3 P13945 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ PSMB8 P28062 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 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
SCHEMBL8247428 0.86 PSMB9 (0.34) PSMB9ADRB3ADRA2BADRA2CPSMB8
SCHEMBL13829859 0.83 ADRB3 (0.33) ADRB3ADRA2BADRA2CKDM4EALDH1A1
SCHEMBL8006962 0.79 DPP4 (0.34) ADRB3ADRA2BADRA2CKDM4EALDH1A1
SCHEMBL11975943 0.79 ADRB3 (0.35) ADRB3ADRA2BADRA2CKDM4EALDH1A1
SCHEMBL13435865 0.77 PSMB9 (0.32) PSMB9PSMB8KDM4EALDH1A1GAA
SCHEMBL13896390 0.77 ADRB3 (0.44) ADRB3ADRA2BADRA2C
SCHEMBL13082484 0.76 ADRB3 (0.37) ADRB3ADRA2BADRA2C
SCHEMBL16938974 0.76 FAP (0.34) ADRB3ADRA2BADRA2C
SCHEMBL11983932 0.76 ADRB3 (0.38) ADRB3ADRA2BADRA2C
SCHEMBL7925281 0.74 ADRB3 (0.33) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010033466-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C PROTEASE PHENOMIX CORPORATION (US) 2010-03-25 — — WO disclosed
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