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SCHEMBL8300215

SCHEMBL8300215

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(=O)CC)n3)nc3c(F)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(=C)C)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.68
▸ PPP3CB P16298 1/20 0.68
▸ ABCC1 P33527 1/20 0.45
▸ ABCC2 Q92887 1/20 0.45
▸ ABCG2 Q9UNQ0 1/20 0.45
▸ ADRB3 P13945 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL8300213 0.95 CTSB (0.69) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL10137381 0.92 CTSB (0.80) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL8297688 0.91 CTSB (0.76) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL13711386 0.91 CTSB (0.69) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL12140919 0.90 CTSB (0.69) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL8300236 0.90 CTSB (0.67) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL12140974 0.90 CTSB (0.70) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL13556594 0.89 CTSB (0.70) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL8299555 0.88 CTSB (0.69) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL12670888 0.88 CTSB (0.77) CTSBPPP3CBABCC1ABCC2ABCG2

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-2004103996-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 — — WO disclosed