SCHEMBL27679296

SCHEMBL27679296

O=c1c2c(ncn2-c2ccccc2)nc(-c2ccc(Cl)cc2)n1-c1ccc(-c2ccccc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.36
MAPT P10636 1/20 0.36
GRM1 Q13255 2/20 0.36
MDM2 Q00987 1/20 0.36
EGFR P00533 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IDO1 P14902 1/20 0.34
F10 P00742 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1753609 0.91 GRM1 (0.39) MCHR1MAPTGRM1MDM2EGFR
SCHEMBL1689350 0.85 MAPT (0.43) MCHR1MAPTGRM1ALDH1A1TSHR
SCHEMBL1688934 0.85 MAPT (0.45) MCHR1MAPTGRM1ALDH1A1TSHR
SCHEMBL1753421 0.84 MCHR1 (0.42) MCHR1MAPTGRM1ALDH1A1TSHR
SCHEMBL27679298 0.83 GRM1 (0.41) MCHR1MAPTGRM1MDM2TP53
SCHEMBL1753437 0.83 MCHR1 (0.46) MCHR1MAPTGRM1ALDH1A1TSHR
SCHEMBL1688952 0.82 GABRA2 (0.41) MAPTGRM1EGFRTP53IDO1
SCHEMBL1689334 0.81 GRM1 (0.45) MCHR1MAPTGRM1ALDH1A1TSHR
SCHEMBL1753587 0.81 MAPT (0.47) MCHR1MAPTGRM1ALDH1A1TSHR
SCHEMBL1688997 0.79 TP53 (0.47) MCHR1MAPTGRM1MDM2ALDH1A1

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