SCHEMBL21821319

SCHEMBL21821319

O=C(O)N1CCN(C(=O)C(Nc2nc3ccccc3[nH]2)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGA5 P08648 1/20 0.49
▸ ITGB6 P18564 1/20 0.49
▸ ITGB8 P26012 1/20 0.49
▸ KLRK1 P26718 3/20 0.47
▸ MICA Q29983 3/20 0.47
▸ RAET1L Q5VY80 2/20 0.47
▸ MTOR P42345 1/20 0.45
▸ PHGDH O43175 2/20 0.44
▸ TRPV1 Q8NER1 1/20 0.42
▸ LPAR2 Q9HBW0 1/20 0.42
▸ CACNA2D1 P54289 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ CACNB1 Q02641 1/20 0.41
▸ CACNA1C Q13936 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ MAOB P27338 1/20 0.39

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
SCHEMBL19283810 0.93 KLRK1 (0.53) ITGA5ITGB6ITGB8KLRK1MICA
SCHEMBL19283862 0.93 KLRK1 (0.52) ITGA5ITGB6ITGB8KLRK1MICA
SCHEMBL21821288 0.93 KLRK1 (0.52) ITGA5ITGB6ITGB8KLRK1MICA
SCHEMBL21821304 0.92 HRH4 (0.49) ITGA5ITGB6ITGB8KLRK1MICA
SCHEMBL19283725 0.91 ITGA5 (0.48) ITGA5ITGB6ITGB8KLRK1MICA
SCHEMBL19283627 0.90 ITGA5 (0.46) ITGA5ITGB6ITGB8KLRK1MICA
SCHEMBL21821297 0.90 TACR1 (0.48) ITGA5ITGB6ITGB8KLRK1MICA
SCHEMBL21821293 0.89 ITGA5 (0.46) ITGA5ITGB6ITGB8KLRK1MICA
Iodide SCHEMBL19283626 0.88 ITGA5 (0.46) ITGA5ITGB6ITGB8KLRK1MICA
SCHEMBL21821321 0.87 ITGA5 (0.44) ITGA5ITGB6ITGB8KLRK1MICA

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-3419973-B1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2020-04-08 — — EP claimed
Send feedback