SCHEMBL21676550

SCHEMBL21676550

CCC(=O)[C@@H](Cc1ccc(C#N)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.63
CTSL P07711 7/20 0.63
CTSB P07858 5/20 0.63
CTSK P43235 5/20 0.63
TACR1 P25103 2/20 0.61
ALDH1A1 P00352 1/20 0.53
ALOX15 P16050 1/20 0.53

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
SCHEMBL13998432 0.89 CTSL (0.64) CTSSCTSLCTSBCTSKTACR1
SCHEMBL7970776 0.88 CTSL (0.65) CTSSCTSLCTSBCTSKTACR1
SCHEMBL18920606 0.88 TACR1 (0.66) CTSSCTSLCTSBCTSKTACR1
SCHEMBL8234111 0.88 TACR1 (0.66) CTSSCTSLCTSBCTSKTACR1
SCHEMBL8438830 0.88 TACR1 (0.66) CTSSCTSLCTSBCTSKTACR1
SCHEMBL4154299 0.82 TACR1 (0.67) CTSSCTSLCTSBCTSKTACR1
SCHEMBL12468262 0.80 CTSL (0.52) CTSSCTSLCTSBCTSKTACR1
SCHEMBL8231722 0.80 CTRB1 (0.61) CTSSCTSLCTSBCTSKTACR1
SCHEMBL8226672 0.79 CTSB (0.55) CTSSCTSLCTSBCTSKTACR1
SCHEMBL18930537 0.79 CTSB (0.55) CTSSCTSLCTSBCTSKTACR1

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
EP-3383865-B1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 Bayer Pharma AG (DE) 2020-01-29 EP disclosed