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Sugi Predict / Compounds / SCHEMBL6693900

SCHEMBL6693900

SCHEMBL6693900

CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNC(C)(C)C(=O)NCC(C)C)cc(-c2ncco2)c1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 19/20 0.77
▸ BACE2 Q9Y5Z0 8/20 0.77
▸ CTSD P07339 4/20 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
SCHEMBL14577057 1.00 BACE1 (0.77) BACE1BACE2CTSD
SCHEMBL13306186 0.97 BACE1 (0.72) BACE1BACE2CTSD
Hydrochloric Acid SCHEMBL6706879 0.88 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL13306276 0.88 BACE1 (0.76) BACE1BACE2CTSD
SCHEMBL3350625 0.88 BACE1 (0.76) BACE1BACE2CTSD
SCHEMBL3351087 0.87 BACE1 (1.00) BACE1BACE2CTSD
SCHEMBL4894641 0.86 BACE1 (0.65) BACE1BACE2CTSD
SCHEMBL5180098 0.86 BACE1 (0.65) BACE1BACE2CTSD
SCHEMBL6698509 0.84 CTSD (0.62) BACE1BACE2CTSD
SCHEMBL6699642 0.82 BACE1 (0.56) BACE1BACE2CTSD

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-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 — — EP claimed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 — — WO claimed