SCHEMBL7936606

SCHEMBL7936606

CCOC(=O)CC(c1cccc(F)c1)N1CCC(CCCC2(C)OCCO2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.35
ITGAV P06756 5/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BACE1 P56817 2/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
OPRM1 P35372 3/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
OPRL1 P41146 2/20 0.32
CYP3A4 P08684 1/20 0.32
GRM5 P41594 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL7936608 1.00 ITGB3 (0.35) ITGB3ITGAVMEN1KMT2ACYP2D6
SCHEMBL6224152 0.95 MEN1 (0.35) ITGB3ITGAVMEN1KMT2ACYP2D6
SCHEMBL6224148 0.95 MEN1 (0.35) ITGB3ITGAVMEN1KMT2ACYP2D6
SCHEMBL7944246 0.87 BACE1 (0.36) ITGB3ITGAVMEN1KMT2ACYP2D6
SCHEMBL7944248 0.87 BACE1 (0.36) ITGB3ITGAVMEN1KMT2ACYP2D6
SCHEMBL7936642 0.83 ITGB3 (0.52) ITGB3ITGAV
SCHEMBL7936647 0.83 ITGB3 (0.52) ITGB3ITGAV
SCHEMBL3890546 0.82 ITGB3 (0.51) ITGB3ITGAVALDH1A1
SCHEMBL3890544 0.82 ITGB3 (0.51) ITGB3ITGAVALDH1A1
SCHEMBL6222341 0.82 ACE (0.36) ITGB3ITGAVMEN1KMT2ACYP2D6

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
US-6268378-B1 TREATING AND PREVENTING OSTEOPOROSIS, AND INHIBITING VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, VIRAL DISEASE, AND TUMOR GROWTH. MERCK & CO., INC. 2001-07-31 US disclosed
US-6066648-A USEFUL IN INHIBITING BONE RESORPTION, TREATING AND PREVENTING OSTEOPOROSIS, AND INHIBITING VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, VIRAL DISEASE, AND TUMOR GROWTH MERCK & CO., INC. (US) 2000-05-23 US disclosed