SCHEMBL19011601

SCHEMBL19011601

C=NO[C@@H]1CCN(c2cccc(-c3noc(=O)[nH]3)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 1/20 0.37
▸ CCR3 P51677 1/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ XDH P47989 2/20 0.35
▸ PDE5A O76074 1/20 0.35
▸ PDE1A P54750 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ PDE7A Q13946 1/20 0.35
▸ PDE1C Q14123 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ ITGB3 P05106 4/20 0.34
▸ ITGA2B P08514 4/20 0.34
▸ F10 P00742 1/20 0.34
▸ RBP4 P02753 1/20 0.34
▸ VCP P55072 1/20 0.33
▸ ADH5 P11766 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL15362510 0.81 DPP4 (0.34) HRH1CCR3DPP4KCNH2DPP7
SCHEMBL19011603 0.80 NOTUM (0.48) —
SCHEMBL22570857 0.73 NR1H4 (0.56) —
SCHEMBL18979300 0.72 ADH5 (0.38) DPP4KCNH2DPP7XDHPDE5A
SCHEMBL19011534 0.70 NOTUM (0.46) DPP4
SCHEMBL19011581 0.69 NOTUM (0.55) VCP
SCHEMBL22570901 0.68 NR1H4 (0.61) —
SCHEMBL19011554 0.68 KMT2A (0.38) KCNH2ALDH1A1
SCHEMBL19011688 0.68 NOTUM (0.44) —
SCHEMBL10187666 0.68 CHRNA7 (0.36) DPP4

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
EP-2632255-B1 DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME (US) 2017-06-21 — — EP disclosed
Send feedback