SCHEMBL10574451

SCHEMBL10574451

CCC(=O)N1CCN/C1=N\C#N

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.38
▸ NAAA Q02083 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ GAA P10253 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
SCHEMBL10574455 1.00 FAAH (0.38) FAAHNAAAHSD17B10TP53ALDH1A1
SCHEMBL9838117 0.84 FAAH (0.33) FAAHNAAA
SCHEMBL10574736 0.74 MAPT (0.30) —
SCHEMBL11372041 0.72 FAAH (0.64) FAAHNAAAHSD17B10ALDH1A1NPSR1
SCHEMBL9765457 0.71 MEN1 (0.33) —
SCHEMBL9765459 0.71 MEN1 (0.33) —
SCHEMBL10577929 0.70 CHRNB2 (0.34) TSHR
SCHEMBL9127509 0.69 — —
SCHEMBL11076055 0.68 FAAH (0.46) FAAHNAAAHSD17B10ALDH1A1NPSR1
SCHEMBL11369073 0.66 XIAP (0.34) FAAHNAAAHSD17B10ALDH1A1NPSR1

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-4880933-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-11-14 — — US disclosed
EP-0277317-A1 Nitro derivatives of 2-iminoimidazolidines and 2-iminotetrahydropyrimidines NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-08-10 — — EP disclosed
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