SCHEMBL22973514

SCHEMBL22973514

NC(OC(=O)C(F)(F)F)C(=O)NCCN1C(=O)C=CC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.42
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ OPRM1 P35372 2/20 0.34
▸ OPRD1 P41143 2/20 0.34
▸ OPRK1 P41145 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HSP90AA1 P07900 2/20 0.33
▸ PKM P14618 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ TLR9 Q9NR96 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MC4R P32245 1/20 0.33
▸ CCR6 P51684 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ APBA1 Q02410 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
SCHEMBL16095877 0.82 DRD2 (0.36) AKT1DRD2DRD3OPRM1OPRD1
SCHEMBL12094240 0.74 ALDH1A1 (0.48) AKT1DRD2DRD3OPRM1OPRD1
SCHEMBL460703 0.73 ALDH1A1 (0.34) ALDH1A1LMNAMGLLFAAHPTGS1
SCHEMBL26971749 0.73 MGLL (0.42) AKT1DRD2DRD3OPRM1OPRD1
Trifluoroacetic Acid SCHEMBL22973516 0.73 AKT1 (0.59) AKT1DRD2DRD3OPRK1PKM
Trifluoroacetic Acid SCHEMBL22973517 0.73 AKT1 (0.59) AKT1DRD2DRD3OPRK1PKM
SCHEMBL16195830 0.72 MGLL (0.46) ALDH1A1LMNAHSP90AA1PKMHTT
SCHEMBL16097118 0.72 MGLL (0.46) ALDH1A1LMNAHSP90AA1PKMHTT
SCHEMBL20677165 0.71 TACR1 (0.32) AKT1
SCHEMBL16731691 0.70 AKT1 (0.47) AKT1DRD2OPRM1OPRD1OPRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11472892-B2 Reactive alginic acid derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2022-10-18 — — US disclosed
EP-3778653-A1 NOVEL REACTIVE ALGINIC ACID DERIVATIVES Mochida Pharmaceutical Co., Ltd. (JP) 2021-02-17 — — EP disclosed
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