SCHEMBL7426591

SCHEMBL7426591

CCNCN1CCOC(c2ccc(OCc3ccccc3)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.50
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.44
TP53 P04637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.42
DRD3 P35462 1/20 0.41
RAB9A P51151 1/20 0.41
MOGAT2 Q3SYC2 1/20 0.40

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
SCHEMBL2295902 0.88 CNR2 (0.55) CNR2ALDH1A1KMT2ANPC1TP53
SCHEMBL2293379 0.88 CNR2 (0.55) CNR2ALDH1A1KMT2ANPC1TP53
SCHEMBL2082396 0.85 DRD3 (0.56) CNR2ALDH1A1KMT2ANPC1TP53
SCHEMBL2294401 0.84 CNR2 (0.70) CNR2ALDH1A1KMT2ANPC1TP53
SCHEMBL322849 0.84 CNR2 (0.70) CNR2ALDH1A1KMT2ANPC1TP53
SCHEMBL2294445 0.84 CNR2 (0.70) CNR2ALDH1A1KMT2ANPC1TP53
SCHEMBL2295182 0.82 HRH3 (0.57) CNR2KMT2ANPC1TP53GAA
SCHEMBL2294060 0.82 HRH3 (0.57) CNR2KMT2ANPC1TP53GAA
SCHEMBL27889560 0.81 CNR2 (0.53) CNR2ALDH1A1KMT2ANPC1TP53
SCHEMBL2297301 0.80 CNR2 (0.65) CNR2ALDH1A1KMT2ANPC1TP53

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