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SCHEMBL8239475

SCHEMBL8239475

Cc1ccc2c(c1)CCN2C(=O)O[C@@H]1C[C@H]2C(=O)NC3(C(=O)NS(=O)(=O)C4CC4)C[C@H]3/C=C\CCCCCNC(=O)N2C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.39
▸ CTSS P25774 1/20 0.38
▸ ADRB3 P13945 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ IDO1 P14902 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
SCHEMBL12950888 1.00 CTSB (0.39) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL997439 1.00 CTSB (0.39) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL8239468 0.91 CTSB (0.40) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL995846 0.91 CTSB (0.40) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL995844 0.91 CTSB (0.40) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL994895 0.91 CTSB (0.37) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL8247113 0.91 CTSB (0.37) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL4025789 0.88 CTSB (0.40) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL8245504 0.88 CTSB (0.40) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL4025795 0.88 CTSB (0.40) CTSBCTSSADRB3ADRA2BADRA2C

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-2007014923-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 — — WO disclosed
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