SCHEMBL7670992

SCHEMBL7670992

COC(=O)CC(CCCN1CCC(CCC2(C)OCCO2)C1=O)c1ccc(OC)nc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.35
ITGAV P06756 12/20 0.35
ITGB1 P05556 2/20 0.33
ITGA2B P08514 2/20 0.33
ITGA5 P08648 1/20 0.33
ITGB6 P18564 1/20 0.33
ITGB8 P26012 1/20 0.33
KCNK3 O14649 4/20 0.32
OXTR P30559 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB5 P18084 1/20 0.31
P2RX7 Q99572 1/20 0.31
CHRNA7 P36544 1/20 0.31

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
SCHEMBL7670998 1.00 ITGB3 (0.35) ITGB3ITGAVITGB1ITGA2BITGA5
SCHEMBL7197024 0.87 ITGB3 (0.39) ITGB3ITGAVITGB1ITGA2BITGA5
SCHEMBL7197018 0.87 ITGB3 (0.39) ITGB3ITGAVITGB1ITGA2BITGA5
SCHEMBL7677699 0.77 ITGAV (0.61) ITGB3ITGAVITGB1ITGA2BITGA5
SCHEMBL7680084 0.77 ITGAV (0.61) ITGB3ITGAVITGB1ITGA2BITGA5
SCHEMBL7677703 0.77 ITGAV (0.61) ITGB3ITGAVITGB1ITGA2BITGA5
SCHEMBL7677494 0.71 ITGAV (0.70) ITGB3ITGAVITGB1ITGA2BITGA5
SCHEMBL7677496 0.71 ITGAV (0.70) ITGB3ITGAVITGB1ITGA2BITGA5
SCHEMBL20140389 0.69 ITGB3 (0.36) ITGB3ITGAVITGB1ITGA2BITGA5
SCHEMBL7010312 0.69 ITGB3 (0.43) ITGB3ITGAVKCNK3CHRNA7

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
US-6413955-B1 1,8-NAPHTHYRIDINES OR 5-THIO-1,8-NAPHTHYRIDINES OR 5-OXO-1,8-NAPHTHYRIDINES; BONE RESORPTION, OSTEOPOROSIS, VASCULAR REST-ENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIO-GENESIS, ATHEROSCLEROSIS, INFLAMMATORY ARTHRITIS, CANCER MERCK & CO., INC. 2002-07-02 US disclosed