SCHEMBL7710752

SCHEMBL7710752

CCN(CC)c1c(N[C@@H](Cc2ccc(Nc3nc(C)cc4ccccc34)cc2)C(=O)O)c(=O)c1=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 18/20 0.54
ITGA4 P13612 18/20 0.54
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
NPR3 P17342 1/20 0.37

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
SCHEMBL7716204 0.93 ITGB1 (0.49) ITGB1ITGA4MEN1GAAMAPT
SCHEMBL7716163 0.92 ITGB1 (0.48) ITGB1ITGA4MEN1GAAMAPT
SCHEMBL7258653 0.91 ITGB1 (0.56) ITGB1ITGA4NPR3
SCHEMBL7714171 0.91 ITGB1 (0.54) ITGB1ITGA4NPR3
SCHEMBL7714166 0.91 ITGB1 (0.57) ITGB1ITGA4
SCHEMBL7716467 0.90 ITGB1 (0.53) ITGB1ITGA4NPR3
SCHEMBL7715545 0.90 ITGB1 (0.53) ITGB1ITGA4
SCHEMBL7714223 0.89 ITGB1 (0.55) ITGB1ITGA4
SCHEMBL7259942 0.89 ITGB1 (0.55) ITGB1ITGA4
SCHEMBL7710715 0.88 ITGB1 (0.57) ITGB1ITGA4

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