SCHEMBL7715514

SCHEMBL7715514

CCC(c1ccc(Nc2nc(C(F)(F)F)cc3ccccc23)cc1)C(Nc1c(N2C(C)CCC2C)c(=O)c1=O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TRPV1 Q8NER1 2/20 0.31
GCG P01275 1/20 0.31
GAA P10253 1/20 0.30
NPY1R P25929 1/20 0.30
NPY2R P49146 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30
ABCG2 Q9UNQ0 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
SCHEMBL7716155 0.89 MAPT (0.36) MEN1MAPTKMT2ANPSR1GAA
SCHEMBL7715517 0.81 MEN1 (0.32) MEN1MAPTKMT2ANPSR1
SCHEMBL7715515 0.80 ELANE (0.37) MEN1MAPTKMT2ANPSR1GAA
SCHEMBL7715511 0.80 ELANE (0.37) MEN1MAPTKMT2ANPSR1GAA
SCHEMBL7716470 0.79 MAPT (0.34) MEN1MAPTKMT2ANPSR1GAA
SCHEMBL7716473 0.77 TRPV1 (0.33) MEN1MAPTKMT2ANPSR1TRPV1
SCHEMBL7715509 0.73 ITGB1 (0.41)
SCHEMBL7715506 0.73 ITGB1 (0.41)
SCHEMBL7715504 0.73 ITGB1 (0.41)
SCHEMBL7718454 0.73 ITGB1 (0.42)

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-6403608-B1 ANTIINFLAMMATORY AND IMMUNE DISORDERS CELLTECH R&D, LTD. (GB) 2002-06-11 US disclosed