SCHEMBL5335422

SCHEMBL5335422

CC(C)(C)NC(=O)c1cc(-c2ccc(Cl)cc2)c2nccn2c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPTLC1 O15269 1/20 0.45
CNR1 P21554 1/20 0.44
HSD11B1 P28845 1/20 0.39
NAMPT P43490 1/20 0.39
S1PR3 Q99500 1/20 0.38
MAOB P27338 1/20 0.38
RIPK1 Q13546 1/20 0.38
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
HTR3A P46098 1/20 0.37
ALPL P05186 1/20 0.37
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37
HDAC6 Q9UBN7 2/20 0.37
MAP3K5 Q99683 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL5343582 0.84 SPTLC1 (0.45) SPTLC1CNR1S1PR3RIPK1XDH
SCHEMBL5343151 0.82 CNR1 (0.49) SPTLC1CNR1HTR3A
SCHEMBL5351052 0.82 SPTLC1 (0.50) SPTLC1XDHSLC22A12
SCHEMBL5337097 0.81 SPTLC1 (0.53) SPTLC1CNR1NAMPTTP53MDM2
SCHEMBL5342869 0.80 CNR1 (0.53) CNR1HSD11B1HTR3A
SCHEMBL5337260 0.80 CNR1 (0.56) SPTLC1CNR1
SCHEMBL5342659 0.79 CNR1 (0.57) CNR1
SCHEMBL5339245 0.79 CNR1 (0.43) CNR1HSD11B1NAMPTSLC22A12ALPL
SCHEMBL5343953 0.79 CNR1 (0.57) SPTLC1CNR1
SCHEMBL5335673 0.78 SMN1; SMN2 (0.55) SPTLC1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007086080-A2 NOVEL IMIDAZO[1,2-a]PYRIDINE CANNABINOID RECEPTOR LIGANDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (IN) 2007-08-02 WO claimed
WO-2007086080-A2 NOVEL IMIDAZO[1,2-a]PYRIDINE CANNABINOID RECEPTOR LIGANDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (IN) 2007-08-02 WO disclosed