SCHEMBL3377871

SCHEMBL3377871

COC(=O)c1cc(-c2cccc(Cl)c2)c2nc(C)cn2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.46
GRM5 P41594 2/20 0.45
SLC6A3 Q01959 4/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A2 O94788 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALDH1A3 P47895 1/20 0.41
SLC6A2 P23975 1/20 0.40
POLQ O75417 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
GABRA5 P31644 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
F2RL3 Q96RI0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3377892 0.89 GRM5 (0.57) GRM5MAPTNPC1RAB9AALDH1A1
SCHEMBL7931544 0.83 CNR2 (0.50) GRM5MAPTNPC1RAB9AALDH1A1
SCHEMBL3379666 0.82 MAPK14 (0.48) MAPK14SLC6A3ALDH1A2ALDH1A1ALDH1A3
SCHEMBL25815701 0.81 MAPT (0.41) MAPK14GRM5MAPTNPC1RAB9A
SCHEMBL7930354 0.81 SMN1; SMN2 (0.47) GRM5MAPTALDH1A1KDM4EKMT2A
SCHEMBL3381952 0.81 MAPK14 (0.43) MAPK14GRM5SLC6A3SLC6A2GABRA5
SCHEMBL3379763 0.80 TRPM8 (0.39) GRM5POLQTRPM8KMT2AF2RL3
SCHEMBL7929316 0.79 GCK (0.62) GRM5MAPTNPC1RAB9AALDH1A1
SCHEMBL7930732 0.79 CNR2 (0.53) MAPK14GRM5NPC1RAB9AALDH1A1
SCHEMBL7930350 0.79 POLB (0.51) MAPTNPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed