SCHEMBL31062995

SCHEMBL31062995

CN1CCNc2nc(CCCCCO[C@@H]3CCN(C(=O)OC(C)(C)C)C3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 11/20 0.48
ITGB6 P18564 9/20 0.48
PIK3CD O00329 5/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
ITGB3 P05106 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA5 P08648 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
SCHEMBL31063322 0.85 ITGAV (0.64) ITGAVITGB6
SCHEMBL21767335 0.85 ITGAV (0.64) ITGAVITGB6
SCHEMBL21767334 0.85 ITGAV (0.64) ITGAVITGB6
SCHEMBL31063358 0.84 ITGAV (0.49) ITGAVITGB6PRMT5WDR77ITGB3
SCHEMBL31062926 0.80 ITGAV (0.49) ITGAVITGB6PIK3CDPRMT5WDR77
SCHEMBL28579670 0.80 ITGAV (0.49) ITGAVITGB6PIK3CDPRMT5WDR77
SCHEMBL31063032 0.79 ITGAV (0.47) ITGAVITGB6PIK3CDPRMT5WDR77
SCHEMBL31063206 0.79 PRMT5 (0.40) ITGAVITGB6PIK3CDPRMT5WDR77
SCHEMBL21767607 0.79 ITGAV (0.41) ITGAVITGB6PIK3CDPRMT5WDR77
SCHEMBL21767609 0.79 ITGAV (0.41) ITGAVITGB6PIK3CDPRMT5WDR77

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