SCHEMBL7684093

SCHEMBL7684093

c1cc2c(nc1CC1CCNC1)NCCC2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 17/20 0.44
ITGB6 P18564 3/20 0.44
ITGB3 P05106 15/20 0.41
ITGB5 P18084 9/20 0.40
ITGB1 P05556 2/20 0.40
CXCR4 P61073 3/20 0.38
ITGA2B P08514 1/20 0.38

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
SCHEMBL7005713 0.93 ITGAV (0.41) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL30335954 0.92 ITGAV (0.47) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL7007445 0.92 ITGAV (0.47) ITGAVITGB6ITGB3ITGB5ITGB1
Hydrochloric Acid SCHEMBL20481212 0.90 ITGAV (0.47) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL20139919 0.90 ITGAV (0.46) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL17640902 0.87 ITGAV (0.52) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL19384679 0.87 ITGAV (0.52) ITGAVITGB6ITGB3ITGB5ITGB1
Hydrochloric Acid SCHEMBL20305074 0.86 ITGAV (0.51) ITGAVITGB6ITGB3ITGB5ITGB1
Hydrochloric Acid SCHEMBL20305071 0.86 ITGAV (0.51) ITGAVITGB6ITGB3ITGB5ITGB1
SCHEMBL21767649 0.83 ITGAV (0.53) ITGAVITGB6ITGB3ITGB5

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
WO-2020047239-A1 INHIBITING αV β6 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO disclosed
US-6358970-B1 FOR THERAPY AND PROPHYLAXIS OF OSTEOPOROSIS, AND INHIBITING VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, ARTHRITIS, VIRAL DISEASE, CANCER, AND METASTATIC TUMOR GROWTH MERCK & CO., INC. 2002-03-19 US disclosed