SCHEMBL9002437

SCHEMBL9002437

NN=CN1CCC[C@@H](CNC(=O)C[C@H](NC(=O)c2cc(Cl)ccn2)C(=O)N(CC(=O)O)C2CC2)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.35
USP30 Q70CQ3 2/20 0.35
KDM4C Q9H3R0 1/20 0.33
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
KCNH2 Q12809 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
CCR3 P51677 1/20 0.31
CTSA P10619 1/20 0.31
PSMB8 P28062 2/20 0.30
PSMB5 P28074 1/20 0.30

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
Hydrochloric Acid SCHEMBL9003017 0.99 F2 (0.36) F2USP30KDM4CCTSDBACE1
SCHEMBL9002451 0.88 F2 (0.43) F2USP30
Hydrochloric Acid SCHEMBL9003028 0.87 F2 (0.44) F2
SCHEMBL9002659 0.85 F2 (0.40) F2
Hydrochloric Acid SCHEMBL9003096 0.85 F2 (0.41) F2
SCHEMBL9003078 0.83 F2 (0.42) F2
SCHEMBL9002937 0.81 F2 (0.38) F2
Hydrochloric Acid SCHEMBL9003259 0.80 F2 (0.39) F2
SCHEMBL9002577 0.80 F2 (0.39) F2
Hydrochloric Acid SCHEMBL9002532 0.80 F2 (0.40) F2

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
US-5559232-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-09-24 US disclosed