SCHEMBL17019809

SCHEMBL17019809

O=C(NCC(C(=O)NO)N1CCNCC1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 18/20 0.53
OPRD1 P41143 1/20 0.52
ADAM10 O14672 3/20 0.48
MMP3 P08254 2/20 0.48
MMP1 P03956 1/20 0.48
ADAM9 Q13443 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45

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
SCHEMBL10276389 0.77 ADAM17 (0.62) ADAM17ADAM10MMP3MMP1ADAM9
SCHEMBL15327676 0.77 ADAM17 (0.62) ADAM17ADAM10MMP3MMP1ADAM9
SCHEMBL15327690 0.73 ADAM17 (0.50) ADAM17ADAM10MMP3MMP1ADAM9
SCHEMBL1503578 0.73 ADAM17 (0.50) ADAM17ADAM10MMP3MMP1ADAM9
SCHEMBL6842741 0.72 DRD4 (0.59) OPRD1ITGB3ITGA2B
SCHEMBL16829430 0.70 KDM4E (0.64)
SCHEMBL7302879 0.70 OPRD1 (0.60) OPRD1
SCHEMBL22122851 0.70 SMN1; SMN2 (0.63) OPRD1
SCHEMBL12076907 0.69 ADAM17 (0.71) ADAM17ADAM10MMP3MMP1ADAM9
SCHEMBL1503597 0.69 ADAM17 (0.71) ADAM17ADAM10MMP3MMP1ADAM9

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-9115102-B2 N-[2-hydroxycarbamoyl-2-(piperazinyl) ethyl] benzamide compounds, their preparation and their use as TACE inhibitors GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-08-25 US disclosed