SCHEMBL6692878

SCHEMBL6692878

CC(=O)N1CCC(Oc2ccc(C(=O)NCC(C(=O)NCCC3CNc4ccc(F)cc43)C3CCCCC3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HRH3 Q9Y5N1 3/20 0.38
F10 P00742 1/20 0.38
PRMT5 O14744 4/20 0.38
RAB9A P51151 1/20 0.37
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
S1PR2 O95136 1/20 0.36

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
SCHEMBL6689428 0.91 MEN1 (0.41) MEN1KMT2AHRH3RAB9AMAPT
SCHEMBL6686227 0.85 CTSS (0.40) S1PR2
SCHEMBL6689089 0.81 KMT2A (0.42) MEN1KMT2APRMT5
SCHEMBL6686987 0.80 CTSL (0.42) MEN1KMT2ARAB9AL3MBTL1
SCHEMBL6689091 0.79 CTSL (0.41) MEN1KMT2ARAB9AL3MBTL1
SCHEMBL6690788 0.78 CTSD (0.38) KMT2A
SCHEMBL6685697 0.77 TRPV1 (0.35) L3MBTL1
SCHEMBL6686236 0.75 GRM7 (0.38) MEN1KMT2A
SCHEMBL6686187 0.75 CTSL (0.46)
SCHEMBL6687345 0.75 CTSS (0.45) MEN1KMT2ARAB9A

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
WO-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed