SCHEMBL13385202

SCHEMBL13385202

C=CC1C[C@@]12N=C([C@@H]1C[C@@H](Oc3cc(OCC)nc4c(Cl)cccc34)CN1C(=O)OC(C)(C)C)OC2=O

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL8275848 1.00 HCRTR1 (0.30) HCRTR1HCRTR2
SCHEMBL13201746 0.88 CTSB (0.33)
SCHEMBL8275831 0.79 CTSB (0.40)
SCHEMBL13219134 0.79 CTSB (0.31)
SCHEMBL13757893 0.78 MCL1 (0.38) HCRTR1HCRTR2
SCHEMBL3405232 0.78 MCL1 (0.38) HCRTR1HCRTR2
SCHEMBL8275838 0.78 P2RX3 (0.36) HCRTR1HCRTR2
SCHEMBL13385203 0.75 CYP3A4 (0.42)
SCHEMBL13409512 0.73 CTSB (0.49)
SCHEMBL13409557 0.73 CTSB (0.55)

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
US-7696242-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed
US-7696242-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed