SCHEMBL31075742

SCHEMBL31075742

COC(C)(C)CCN(CCCCCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2)[C@@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 6/20 0.36
ITGB6 P18564 6/20 0.36
USP30 Q70CQ3 3/20 0.34
GPR119 Q8TDV5 6/20 0.34
NR1D1 P20393 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
ITGA5 P08648 2/20 0.32
KDM1A O60341 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
SCHEMBL31076085 0.92 ITGAV (0.36) ITGAVITGB6USP30GPR119NR1D1
SCHEMBL31075653 0.91 GPR119 (0.38) ITGAVITGB6USP30GPR119NR1D1
SCHEMBL31075702 0.90 ITGAV (0.38) ITGAVITGB6USP30GPR119NR1D1
SCHEMBL31075940 0.90 ITGAV (0.38) ITGAVITGB6USP30GPR119NR1D1
SCHEMBL31075714 0.90 ITGAV (0.38) ITGAVITGB6USP30GPR119NR1D1
SCHEMBL31076169 0.90 ITGAV (0.38) ITGAVITGB6USP30GPR119NR1D1
SCHEMBL31075867 0.89 ITGAV (0.40) ITGAVITGB6USP30GPR119NR1D1
SCHEMBL31075948 0.88 ITGAV (0.38) ITGAVITGB6USP30GPR119NR1D1
SCHEMBL31075984 0.88 ITGAV (0.36) ITGAVITGB6USP30GPR119NR1D1
SCHEMBL31075811 0.88 USP30 (0.37) ITGAVITGB6USP30GPR119NPC1

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