SCHEMBL7433681

SCHEMBL7433681

C[C@H](CS)C(=O)N(CC(=O)O)[C@@H](CNC12CC3CC(CC(C3)C1)C2)C(=O)OC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
EPHX2 P34913 1/20 0.34
EPHX1 P07099 1/20 0.33

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
SCHEMBL7430335 0.85 EPHX2 (0.36) EPHX2
SCHEMBL7437954 0.84 EPHX2 (0.39) EPHX2
SCHEMBL7440245 0.75 EPHX2 (0.35) EPHX2
Amantadine SCHEMBL7433672 0.69
Amantadine SCHEMBL7435612 0.69
Amantadine SCHEMBL7435617 0.69
SCHEMBL7436467 0.68
SCHEMBL7435846 0.68
SCHEMBL7441389 0.68
SCHEMBL7441399 0.68

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-0384636-A1 Pharmaceutically active compounds FISONS plc (GB) 1990-08-29 EP claimed
EP-0384636-A1 Pharmaceutically active compounds FISONS plc (GB) 1990-08-29 EP disclosed