SCHEMBL31321064

SCHEMBL31321064

O=C(O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2Cc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 1.00
ITGAV P06756 17/20 1.00
ITGA2B P08514 7/20 1.00
ITGB5 P18084 7/20 1.00
ITGB1 P05556 4/20 1.00
ITGB6 P18564 2/20 0.46
PPARD Q03181 3/20 0.46

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
SCHEMBL7168382 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6657173 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL244383 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL30894723 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7170698 0.91 ITGB3 (0.83) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7168393 0.91 ITGB3 (0.82) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7172016 0.90 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7170011 0.90 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7451419 0.90 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7037993 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-2025035212-A1 IRREVERSIBLE 17BETA-HSD1 INHIBITORS UNIVERSITé LAVAL (CA) 2025-02-20 WO disclosed