SCHEMBL8448653

SCHEMBL8448653

CCCCc1nc(C(=O)c2cccc3ccccc23)c(C)n1CCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.60
CNR1 P21554 10/20 0.60
GUCY1A1 Q02108 1/20 0.58
GUCY1B1 Q02153 1/20 0.58
SLC6A3 Q01959 1/20 0.53
MEN1 O00255 1/20 0.51
NR1I2 O75469 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
TLR7 Q9NYK1 1/20 0.47

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
SCHEMBL8448651 0.89 GUCY1A1 (0.57) CNR2CNR1GUCY1A1GUCY1B1SLC6A3
SCHEMBL8452079 0.85 GUCY1A1 (0.57) CNR2CNR1GUCY1A1GUCY1B1SLC6A3
SCHEMBL8452734 0.83 GUCY1A1 (0.52) CNR2CNR1GUCY1A1GUCY1B1SLC6A3
SCHEMBL8575121 0.81 GUCY1A1 (0.50) CNR2CNR1GUCY1A1GUCY1B1SLC6A3
SCHEMBL3897756 0.76 GUCY1A1 (0.94) CNR2CNR1GUCY1A1GUCY1B1SLC6A3
SCHEMBL8452077 0.75 GUCY1A1 (0.55) CNR2CNR1GUCY1A1GUCY1B1SLC6A3
SCHEMBL8452729 0.74 GUCY1A1 (0.52) CNR2CNR1GUCY1A1GUCY1B1TLR7
SCHEMBL8575119 0.72 GUCY1A1 (0.49) CNR2CNR1GUCY1A1GUCY1B1TLR7
SCHEMBL29989454 0.71 CNR2 (1.00) CNR2CNR1SLC6A3MEN1NR1I2
SCHEMBL29362163 0.70 CNR2 (1.00) CNR2CNR1SLC6A3MEN1NR1I2

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
US-5856326-A ANTITUMOR, ANTICANCER AGENTS MERCK & CO., INC. (US) 1999-01-05 US disclosed