SCHEMBL31076169

SCHEMBL31076169

CC(C)(C)OC(=O)N1CC[C@@H](N(CCCCCc2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)CCC(F)F)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 11/20 0.38
ITGB6 P18564 11/20 0.38
ITGA5 P08648 7/20 0.37
GPR119 Q8TDV5 2/20 0.36
USP30 Q70CQ3 3/20 0.35
NR1D1 P20393 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TRPV3 Q8NET8 1/20 0.34
IDH1 O75874 1/20 0.33
IDH2 P48735 1/20 0.33

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
SCHEMBL31075940 1.00 ITGAV (0.38) ITGAVITGB6ITGA5GPR119USP30
SCHEMBL31075714 1.00 ITGAV (0.38) ITGAVITGB6ITGA5GPR119USP30
SCHEMBL31075948 0.94 ITGAV (0.38) ITGAVITGB6ITGA5GPR119USP30
SCHEMBL31076085 0.92 ITGAV (0.36) ITGAVITGB6ITGA5GPR119USP30
SCHEMBL31075702 0.92 ITGAV (0.38) ITGAVITGB6GPR119USP30NR1D1
SCHEMBL31075984 0.91 ITGAV (0.36) ITGAVITGB6ITGA5GPR119USP30
SCHEMBL31075653 0.91 GPR119 (0.38) ITGAVITGB6ITGA5GPR119USP30
SCHEMBL31075904 0.90 ITGAV (0.37) ITGAVITGB6ITGA5GPR119USP30
SCHEMBL31075867 0.90 ITGAV (0.40) ITGAVITGB6ITGA5GPR119USP30
SCHEMBL31075742 0.90 ITGAV (0.36) ITGAVITGB6ITGA5GPR119USP30

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-4665458-A1 INHIBITING ALPHA V BETA8 INTEGRIN Morphic Therapeutic, Inc. (US) 2025-12-24 EP disclosed
WO-2024173572-A1 INHIBITING α vβ8 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2024-08-22 WO disclosed