SCHEMBL7801243

SCHEMBL7801243

CCC[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.52
CTSL P07711 7/20 0.51
CTSS P25774 3/20 0.51
CTSB P07858 2/20 0.51
TACR1 P25103 2/20 0.47
CAPN1 P07384 1/20 0.46
REN P00797 1/20 0.46

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
SCHEMBL7809241 0.86 CTSD (0.55) CTSKCTSLCTSSCTSBTACR1
SCHEMBL8736216 0.81 CTSD (0.53) CTSKCTSS
SCHEMBL8196072 0.80 TACR1 (0.61) CTSKCTSLCTSSCTSBTACR1
SCHEMBL8361282 0.77 CTSD (0.47) CTSKCTSB
SCHEMBL7283767 0.77 ELANE (0.53) CTSKCTSLCTSSCTSB
SCHEMBL7806325 0.76 CMA1 (0.49) CTSKCTSLCTSSCTSB
SCHEMBL7806366 0.76 CTSL (0.47) CTSKCTSLCTSSCTSBTACR1
SCHEMBL8492203 0.76 CTSD (0.54) CTSKCTSLCTSSCTSBTACR1
SCHEMBL7762796 0.76 CTSL (0.74) CTSKCTSLCTSSCTSBTACR1
SCHEMBL18071131 0.74 CTSL (0.64) CTSKCTSLCTSSCTSB

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-0721449-B1 INHIBITORS OF BETA-AMYLOID PROTEIN PRODUCTION MERRELL PHARMA INC (US) 2001-12-19 EP claimed