SCHEMBL7975178

SCHEMBL7975178

O=C(NC1CCCCC1)c1cncc(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.74
NPC1 O15118 3/20 0.62
RAB9A P51151 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.60
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
ALOX12 P18054 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GRM5 P41594 3/20 0.53
DYRK1A Q13627 1/20 0.51
CNR1 P21554 1/20 0.51
ACKR3 P25106 2/20 0.50

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
SCHEMBL19445672 0.89 KMT2A (0.63) SMYD3NPC1RAB9AL3MBTL1MEN1
SCHEMBL19701268 0.85 SMYD3 (1.00) SMYD3L3MBTL1
SCHEMBL21490033 0.85 SMYD3 (1.00) SMYD3L3MBTL1
SCHEMBL19445800 0.83 MEN1 (0.57) SMYD3NPC1RAB9AL3MBTL1MEN1
SCHEMBL23890007 0.82 MEN1 (0.56) SMYD3NPC1RAB9AMEN1KMT2A
SCHEMBL14782167 0.82 KDM4E (0.79) SMYD3NPC1RAB9AL3MBTL1MEN1
SCHEMBL5080713 0.77 NPC1 (0.53) SMYD3NPC1RAB9AL3MBTL1MEN1
SCHEMBL15323778 0.77 NPC1 (1.00) NPC1RAB9AL3MBTL1KDM4ESMN1; SMN2
SCHEMBL27252896 0.76 NPC1 (0.55) NPC1RAB9AL3MBTL1SMN1; SMN2GRM5
SCHEMBL435720 0.76 KMT2A (0.69) NPC1RAB9AL3MBTL1MEN1KMT2A

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
WO-2001017965-A2 CYANOPIPERIDINES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-03-15 WO disclosed