SCHEMBL8079946

SCHEMBL8079946

COc1ncn2cc(C[C@@H]3CCCCN3C(=O)C3N=C(C)SC3c3ccccc3)nc2c1C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAGLB Q8NCG7 9/20 0.34
DAGLA Q9Y4D2 5/20 0.33
ROCK2 O75116 2/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
CPT2 P23786 1/20 0.31
CPT1A P50416 1/20 0.31
TRPC3 Q13507 1/20 0.31
TRPC6 Q9Y210 1/20 0.31
ABHD6 Q9BV23 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31

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
SCHEMBL8074791 0.91 DAGLA (0.33) DAGLBDAGLANPC1HPGDRAB9A
SCHEMBL8077925 0.86 DAGLA (0.32) DAGLBDAGLANPC1HPGDRAB9A
SCHEMBL8152792 0.85 DAGLA (0.38) DAGLBDAGLAROCK2HPGD
SCHEMBL8144465 0.85 DAGLA (0.33) DAGLBDAGLANPC1HPGDRAB9A
SCHEMBL8154720 0.83 DAGLB (0.37) DAGLBDAGLAROCK2HCRTR1HCRTR2
SCHEMBL7909447 0.83 DAGLA (0.33) DAGLANPC1HPGDRAB9AHCRTR2
SCHEMBL8146211 0.83 KDM4E (0.47) NPC1HPGDRAB9A
SCHEMBL8138501 0.82 KDM4E (0.38) DAGLANPC1HPGDRAB9AHCRTR2
SCHEMBL8136076 0.82 KDM4E (0.38) DAGLBDAGLAHPGDHCRTR1HCRTR2
SCHEMBL8145765 0.82 KDM4E (0.40) DAGLAHPGDHCRTR2TRPC3TRPC6

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-2009003997-A1 IMIDAZO [1, 2-C] PYRIMIDIN-2-YLMETHYLPIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-01-08 WO disclosed