SCHEMBL17865891

SCHEMBL17865891

Cc1nn(C)c(C)c1C(=O)N1CCCCC1CCO

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ VNN1 O95497 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GPBAR1 Q8TDU6 2/20 0.38
▸ POLB P06746 1/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36

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
SCHEMBL17865892 0.90 L3MBTL1 (0.43) TP53KDM4EVNN1L3MBTL1LMNA
SCHEMBL17865894 0.89 TP53 (0.42) TP53KDM4EL3MBTL1LMNAGPBAR1
SCHEMBL17865884 0.86 KDM4E (0.43) TP53KDM4ENAMPTL3MBTL1LMNA
SCHEMBL17865887 0.86 KDM4E (0.41) TP53KDM4EL3MBTL1LMNAGPBAR1
SCHEMBL17865896 0.86 POLB (0.47) KDM4ENPC1VNN1L3MBTL1LMNA
SCHEMBL17865882 0.85 LMNA (0.41) TP53KDM4EL3MBTL1LMNAGPBAR1
SCHEMBL17865883 0.84 PLAT (0.48) KDM4ENPC1L3MBTL1LMNAGPBAR1
SCHEMBL15324681 0.83 L3MBTL1 (0.39) TP53KDM4EVNN1L3MBTL1LMNA
SCHEMBL17865895 0.83 KDM4E (0.39) TP53KDM4EGPBAR1
SCHEMBL17865888 0.82 KDM4E (0.42) TP53KDM4EL3MBTL1LMNAGPBAR1

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-2836489-B1 N-ACYL-2-(CYCLO) ALKYLPYRROLIDINES AND PIPERIDINES USEFUL AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2016-06-29 — — EP claimed
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