SCHEMBL31063183

SCHEMBL31063183

CC(C)(C)OC(=O)N1C[C@@H](F)[C@H](OCCCCCc2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 5/20 0.37
ITGB6 P18564 5/20 0.37
GPR119 Q8TDV5 3/20 0.35
PIK3R1 P27986 4/20 0.35
PIK3CA P42336 4/20 0.35
PIK3CD O00329 1/20 0.34
USP30 Q70CQ3 1/20 0.34
MPO P05164 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM1A O60341 2/20 0.33
NR1H2 P55055 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32

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
SCHEMBL31582686 0.89 ITGAV (0.43) ITGAVITGB6GPR119MPONPC1
SCHEMBL20141376 0.85 ITGAV (0.44) ITGAVITGB6GPR119MPONPC1
SCHEMBL31063024 0.85 ITGAV (0.47) ITGAVITGB6GPR119PIK3CDNPC1
SCHEMBL31062885 0.85 ITGAV (0.47) ITGAVITGB6GPR119PIK3CDNPC1
SCHEMBL31063505 0.84 ITGAV (0.54) ITGAVITGB6
SCHEMBL28744015 0.80 ITGAV (0.44) ITGAVITGB6GPR119NPC1RAB9A
SCHEMBL20481168 0.80 MPO (0.38) ITGAVITGB6GPR119MPONPC1
SCHEMBL21328581 0.79 MPO (0.39) ITGAVITGB6GPR119MPONPC1
SCHEMBL1840941 0.79 MPO (0.39) ITGAVITGB6GPR119MPONPC1
SCHEMBL16607380 0.79 ITGAV (0.40) ITGAVITGB6GPR119MPO

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-4665339-A1 INHIBITING ALPHA V BETA 8 INTEGRIN Morphic Therapeutic, Inc. (US) 2025-12-24 EP disclosed
WO-2024173570-A1 INHIBITING αvβ8 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2024-08-22 WO disclosed