SCHEMBL7801231

SCHEMBL7801231

CC(C(=O)N[C@H](C(=O)NC(Cc1ccccc1)C(O)C(F)(F)C(=O)NCc1ccccc1)C(C)C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSD P07339 4/20 0.49
BACE1 P56817 12/20 0.48

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
SCHEMBL7801233 0.85 CTSD (0.49) CTSDBACE1
SCHEMBL7806328 0.81 HTRA1 (0.51)
SCHEMBL8736745 0.80 CTSD (0.61) CTSD
SCHEMBL6556305 0.75 ATM (0.54) BACE1
SCHEMBL6556306 0.75 ATM (0.54) BACE1
SCHEMBL7807985 0.75 CTSD (0.56) CTSD
SCHEMBL7807979 0.74 TRPM8 (0.56) CTSD
SCHEMBL7323581 0.73 TRPM8 (0.55) CTSD
SCHEMBL7269992 0.73 CTSD (0.61) CTSDBACE1
SCHEMBL9081107 0.71 REN (0.49) BACE1

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