SCHEMBL30856556

SCHEMBL30856556

O=C(O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2CN(CC(F)(F)F)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 1.00
ITGAV P06756 19/20 1.00
ITGA2B P08514 8/20 1.00
ITGB5 P18084 6/20 0.64
ITGB1 P05556 4/20 0.64
ITGB6 P18564 2/20 0.42
MDM4 O15151 1/20 0.39
MDM2 Q00987 1/20 0.39

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
SCHEMBL30856550 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL983500 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL979390 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL243383 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL12948919 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL12922973 0.92 ITGB3 (0.85) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2043371 0.92 ITGB3 (0.85) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6419346 0.90 ITGB3 (0.82) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6423290 0.90 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL12010935 0.90 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB5ITGB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024024915-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR PERIOSTIN-MEDIATED DISEASE AND PRURITUS ASSOCIATED THEREWITH 国立大学法人佐賀大学 2024-02-01 WO disclosed