SCHEMBL27698337

SCHEMBL27698337

O=c1c2ncn(-c3ccccc3)c2nc(-c2ccc(-c3ccccc3)c(F)c2)n1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 10/20 0.46
MAPT P10636 2/20 0.46
MCHR1 Q99705 1/20 0.41
XDH P47989 1/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
THRB P10828 1/20 0.38
TP53 P04637 2/20 0.38
GRM5 P41594 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL27698329 0.92 GRM1 (0.44) GRM1MAPTMCHR1XDHMEN1
SCHEMBL1688960 0.90 GRM1 (0.50) GRM1MAPTMCHR1XDHMEN1
SCHEMBL4516045 0.89 GRM1 (0.41) GRM1MAPTMCHR1XDHMEN1
SCHEMBL1689106 0.88 GRM1 (0.44) GRM1MAPTMCHR1XDHKMT2A
SCHEMBL1689332 0.87 GRM1 (0.48) GRM1MAPTMCHR1XDHMEN1
SCHEMBL1689013 0.87 GRM1 (0.50) GRM1MAPTMCHR1XDHMEN1
SCHEMBL1689015 0.85 MAPT (0.44) GRM1MAPTMCHR1XDHKMT2A
SCHEMBL1753607 0.85 NPSR1 (0.45) GRM1MAPTMCHR1XDHMEN1
SCHEMBL1753604 0.85 MAPT (0.46) GRM1MAPTMCHR1XDHUSP2
SCHEMBL1689027 0.84 MAPT (0.43) GRM1MAPTMCHR1XDHMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102241680-A Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC 2011-11-16 CN claimed
CN-101048408-A Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2007-10-03 CN claimed
CN-102241680-A Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC 2011-11-16 CN disclosed
CN-101048408-B Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC 2011-07-06 CN disclosed
CN-101048408-A Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2007-10-03 CN disclosed