SCHEMBL20153484

SCHEMBL20153484

CCOC(=O)CC(c1ccc(OC)nc1)c1ncc(Br)s1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSA P10619 13/20 0.40
FFAR1 O14842 1/20 0.38
OXTR P30559 1/20 0.36
RAB9A P51151 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGAV P06756 2/20 0.35
FBP1 P09467 1/20 0.35

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
SCHEMBL20140402 0.84 CTSA (0.41) CTSAFFAR1OXTRITGB3ITGAV
SCHEMBL20153474 0.82 CTSA (0.58) CTSA
SCHEMBL21311667 0.81 ITGB3 (0.37) CTSAOXTRITGB3ITGAV
SCHEMBL20153487 0.80 ITGB3 (0.37) CTSAOXTRITGB3ITGAV
SCHEMBL20153486 0.80 CTSA (0.35) CTSAFFAR1OXTRITGB3ITGAV
SCHEMBL20153477 0.79 FFAR1 (0.36) CTSAFFAR1OXTRFBP1
SCHEMBL20139591 0.77 FGFR2 (0.36) CTSAFFAR1OXTRITGB3ITGAV
SCHEMBL21311525 0.76 OXTR (0.38) CTSAFFAR1OXTRITGB3ITGAV
SCHEMBL20153392 0.75 NNMT (0.43) FFAR1OXTRRAB9A
SCHEMBL6106081 0.75 NNMT (0.43) FFAR1OXTRRAB9A

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-3538525-B1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-22 EP disclosed
WO-2018089353-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed