SCHEMBL7426599

SCHEMBL7426599

NCCCN1CCOC(c2ccc(OCc3ccccc3)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.51
KMT2A Q03164 2/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LTA4H P09960 1/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
LMNA P02545 1/20 0.43
EGFR P00533 1/20 0.43

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
SCHEMBL2295182 0.87 HRH3 (0.57) CNR2KMT2AHTTNPC1RAB9A
SCHEMBL2294060 0.87 HRH3 (0.57) CNR2KMT2AHTTNPC1RAB9A
SCHEMBL27889560 0.86 CNR2 (0.53) CNR2KMT2AHTTMEN1NPC1
SCHEMBL2082396 0.86 DRD3 (0.56) CNR2KMT2AMEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL27891813 0.85 CNR2 (0.52) CNR2KMT2AHTTMEN1NPC1
SCHEMBL2294445 0.85 CNR2 (0.70) CNR2KMT2AMEN1NPC1RAB9A
SCHEMBL322849 0.85 CNR2 (0.70) CNR2KMT2AMEN1NPC1RAB9A
SCHEMBL2294401 0.85 CNR2 (0.70) CNR2KMT2AMEN1NPC1RAB9A
SCHEMBL2293379 0.84 CNR2 (0.55) CNR2KMT2AMEN1NPC1RAB9A
SCHEMBL2295902 0.84 CNR2 (0.55) CNR2KMT2AMEN1NPC1RAB9A

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-2000006559-A1 REDUCED DIPEPTIDE ANALOGUES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-02-10 WO disclosed