SCHEMBL19792019

SCHEMBL19792019

CCCCN1C=[N+](C)CCC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ APAF1 O14727 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ PLA2G1B P04054 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ ATG4B Q9Y4P1 1/20 0.30

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
SCHEMBL1832593 0.88 GLB1 (0.31) —
Bromide SCHEMBL17699214 0.86 MEN1 (0.31) MEN1APAF1NPC1PLA2G1BHSP90AA1
Hydrochloric Acid SCHEMBL2006513 0.86 KMT2A (0.32) CCR5MEN1KMT2A
SCHEMBL5795512 0.82 EEF2K (0.35) CCR5MEN1APAF1NPC1PLA2G1B
SCHEMBL17699212 0.81 SIGMAR1 (0.30) —
SCHEMBL16552993 0.81 — —
SCHEMBL5794438 0.81 EEF2K (0.37) CCR5MEN1APAF1NPC1PLA2G1B
SCHEMBL5797197 0.81 EEF2K (0.37) CCR5MEN1APAF1NPC1PLA2G1B
SCHEMBL5796690 0.81 EEF2K (0.37) CCR5MEN1APAF1NPC1PLA2G1B
SCHEMBL6383372 0.81 EEF2K (0.37) CCR5MEN1APAF1NPC1PLA2G1B

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-3272813-A1 LIQUID CONTAINING LAYERED-SUBSTANCE AND METHOD FOR PRODUCING SAME Adeka Corporation (JP) 2018-01-24 — — EP disclosed
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