SCHEMBL27418902

SCHEMBL27418902

N=C(N)c1ccc(N2CCN(C3CCN(CC(=O)O)CC3)CC2)c(CN)c1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.68
ITGA2B P08514 14/20 0.68
ALOX15 P16050 1/20 0.67
TRPV6 Q9H1D0 3/20 0.39
CXCR3 P49682 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7337792 0.87 ITGB3 (0.71) ITGB3ITGA2BALOX15CXCR3KDM4E
SCHEMBL7344150 0.86 ITGB3 (0.69) ITGB3ITGA2BALOX15CXCR3
Trifluoroacetic Acid SCHEMBL7347536 0.82 ITGB3 (0.63) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL6839445 0.81 ITGB3 (1.00) ITGB3ITGA2BALOX15
SCHEMBL27418904 0.80 ITGB3 (0.47) ITGB3ITGA2BALOX15TRPV6CXCR3
Hydrochloric Acid SCHEMBL8431411 0.79 ALOX15 (0.98) ITGB3ITGA2BALOX15
SCHEMBL8323744 0.77 ITGB3 (0.65) ITGB3ITGA2BALOX15TRPV6KDM4E
SCHEMBL7338361 0.77 ITGB3 (0.71) ITGB3ITGA2BALOX15TRPV6
SCHEMBL7345703 0.77 ITGB3 (0.71) ITGB3ITGA2BALOX15CXCR3
Trifluoroacetic Acid SCHEMBL7334802 0.76 ITGB3 (0.87) ITGB3ITGA2BALOX15

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
CN-1090273-A Acetogenin GLAXO GROUP LTD (GB) 1994-08-03 CN claimed