SCHEMBL7806332

SCHEMBL7806332

CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 14/20 0.58
CASP1 P29466 1/20 0.49
CMA1 P23946 3/20 0.49
CTRC Q99895 2/20 0.47

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
SCHEMBL7806328 0.85 HTRA1 (0.51) HTRA1CMA1CTRC
SCHEMBL7801233 0.82 CTSD (0.49) HTRA1CASP1
SCHEMBL9421813 0.81 MME (0.48) HTRA1CMA1CTRC
SCHEMBL8736216 0.78 CTSD (0.53) HTRA1CMA1
SCHEMBL8361286 0.78 CTSD (0.47) HTRA1CASP1CMA1
SCHEMBL10084581 0.77 CAPN1 (0.52) CASP1CMA1
SCHEMBL7806370 0.76 CTSD (0.49) CMA1
SCHEMBL8361282 0.75 CTSD (0.47) CASP1CMA1
SCHEMBL7334046 0.75 CA2 (0.48) HTRA1CASP1
SCHEMBL18228788 0.75 HTRA1 (0.78) HTRA1

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 4 patents. 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 disclosed
US-5977074-A THERAPY FOR ALZHEIMER'S DISEASE MERRELL PHARMACEUTICALS, INC. (US) 1999-11-02 US disclosed
EP-0721449-A1 INHIBITORS OF $g(b)-AMYLOID PROTEIN PRODUCTION MERRELL PHARMACEUTICALS INC. (US) 1996-07-17 EP disclosed
WO-1995009838-A1 INHIBITORS OF β-AMYLOID PROTEIN PRODUCTION MERRELL PHARMACEUTICALS INC. (US) 1995-04-13 WO disclosed