Sugi Predict

Sugi Predict / Compounds / SCHEMBL5579580

SCHEMBL5579580

SCHEMBL5579580

CCc1cccc(CN(C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)C(=O)c2ccc3nncn3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MLLT1 Q03111 14/20 0.40
▸ BACE1 P56817 4/20 0.39
▸ CTSD P07339 2/20 0.39
▸ MLLT3 P42568 3/20 0.36
▸ AOC3 Q16853 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ BACE2 Q9Y5Z0 2/20 0.32

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
SCHEMBL5127581 0.81 BACE1 (0.40) BACE1CTSDBACE2
SCHEMBL5127774 0.81 BACE1 (0.42) BACE1CTSDBACE2
SCHEMBL5126194 0.80 BACE1 (0.53) BACE1CTSDBACE2
SCHEMBL5126890 0.79 BACE1 (0.41) BACE1CTSDBACE2
SCHEMBL5130825 0.79 BACE1 (0.45) BACE1CTSDBACE2
SCHEMBL5117789 0.79 BACE1 (0.40) BACE1CTSDBACE2
SCHEMBL5124865 0.78 BACE1 (0.43) BACE1CTSDBACE2
SCHEMBL5129411 0.78 PTPN1 (0.40) BACE1CTSDAOC3BACE2
SCHEMBL5124743 0.78 BACE1 (0.51) BACE1CTSDBACE2
SCHEMBL5130310 0.78 BACE1 (0.42) BACE1CTSD

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
US-7294642-B2 1,3-Diamino-2-hydroxypropane pro-drug derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-11-13 — — US claimed
US-7294642-B2 1,3-Diamino-2-hydroxypropane pro-drug derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-11-13 — — US disclosed