SCHEMBL6811091

SCHEMBL6811091

O=C(N[C@@H](Cn1cnc2c(N3CCC(C(=O)O)CC3)ncnc21)C(=O)O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.53
ITGAV P06756 16/20 0.53
ITGA2B P08514 1/20 0.47
ITGB5 P18084 1/20 0.47
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
HRH1 P35367 1/20 0.44

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
SCHEMBL27524220 0.90 ITGB3 (0.46) ITGB3ITGAVITGA2BITGB5CNR1
SCHEMBL4640164 0.90 ITGB3 (0.46) ITGB3ITGAVITGA2BITGB5CNR1
SCHEMBL4641583 0.90 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB5
SCHEMBL4641094 0.86 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB5
SCHEMBL6805959 0.85 ITGB3 (0.40) ITGB3ITGAVITGA2BITGB5
SCHEMBL4640251 0.84 ITGB3 (0.49) ITGB3ITGAVITGA2BITGB5
SCHEMBL4641449 0.83 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5
SCHEMBL6802237 0.83 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5
SCHEMBL6802240 0.83 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5
SCHEMBL6811105 0.82 CNR1 (0.44) ITGB3ITGAVCNR1CNR2

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-6723727-B1 VITRONECTIN RECEPTOR ANTAGONISTS; INHIBITORS OF BONE RESORPTION; OSTEOPOROSIS HOECHST AKTIENGESELLSCHAFT (DE) 2004-04-20 US disclosed