SCHEMBL8220129

SCHEMBL8220129

CC(C)(C)c1csc(N[C@H](C(=O)N2CC3(C[C@H]2C(=O)NC(CC2CCC2)C(=O)C(N)=O)CC3(C)C)C(C)(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 1/20 0.44
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ ELANE P08246 1/20 0.44
▸ CMA1 P23946 1/20 0.44
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ CTSF Q9UBX1 1/20 0.44
▸ ATAD2 Q6PL18 1/20 0.38
▸ PDF Q9HBH1 1/20 0.36
▸ CFD P00746 1/20 0.33
▸ FPR3 P25089 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ F2 P00734 1/20 0.32
▸ NR1I2 O75469 1/20 0.32

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
SCHEMBL11930156 1.00 CTSV (0.44) CTSVCTSLCTSBELANECMA1
SCHEMBL8225467 0.91 CTSV (0.45) CTSVCTSLCTSBELANECMA1
SCHEMBL8227722 0.89 CTSK (0.42) CTSVCTSLCTSBELANECMA1
SCHEMBL11930157 0.89 CTSK (0.42) CTSVCTSLCTSBELANECMA1
SCHEMBL11936782 0.89 CTSK (0.41) CTSVCTSLCTSBELANECMA1
SCHEMBL8219312 0.89 CTSK (0.41) CTSVCTSLCTSBELANECMA1
SCHEMBL13559977 0.89 CTSV (0.43) CTSVCTSLCTSBELANECMA1
SCHEMBL11938018 0.89 CTSV (0.43) CTSVCTSLCTSBELANECMA1
SCHEMBL8228348 0.87 CTSB (0.40) CTSVCTSLCTSBELANECMA1
SCHEMBL11936553 0.87 CTSB (0.40) CTSVCTSLCTSBELANECMA1

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-2518079-A2 HCV/HIV inhibitors and their uses Novartis AG (CH) 2012-10-31 — — EP disclosed
WO-2007133865-A2 HCV/HIV INHIBITORS AN THEIR USES NOVARTIS AG (CH) 2007-11-22 — — WO disclosed
Send feedback