SCHEMBL7928996

SCHEMBL7928996

Cc1cn2cc(CN3C=CCCC3=O)cc(-c3cccc(Cl)c3)c2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.35
KDM4E B2RXH2 4/20 0.34
HPGD P15428 3/20 0.34
MAOB P27338 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
GRM5 P41594 2/20 0.33
PIM1 P11309 2/20 0.33
PIM2 Q9P1W9 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 2/20 0.32
TRPC5 Q9UL62 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP2C9 P11712 2/20 0.32
PDE4B Q07343 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL7931521 0.83 ADORA3 (0.39) GRM2KDM4EHPGDMAOBLMNA
SCHEMBL7934819 0.78 GRM2 (0.39) GRM2KDM4EHPGDMAOBLMNA
SCHEMBL3380430 0.76 MAOB (0.38) KDM4EHPGDMAOBLMNAGAA
SCHEMBL7905671 0.72 PDE4D (0.39) KDM4EHPGDMAOBLMNAGAA
SCHEMBL3379763 0.71 TRPM8 (0.39) GRM5KMT2APDE4BTP53
SCHEMBL3378478 0.69 DHFR (0.39) LMNAMEN1NPC1RAB9AKMT2A
SCHEMBL3459398 0.69 SMN1; SMN2 (0.35) KDM4EHPGDMAOBLMNAGAA
SCHEMBL3377711 0.68 KMT2A (0.40) GRM2HPGDGRM5NPC1RAB9A
SCHEMBL3377892 0.67 GRM5 (0.57) KDM4EGAAGRM5NPC1RAB9A
SCHEMBL3380282 0.67 CYP3A4 (0.39) GRM2MAOBRAB9ACYP2C9CYP3A4

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-2010059836-A1 SUBSTITUTED AZA-BRIDGED BICYCLICS FOR CARDIOVASCULAR AND CNS DISEASE DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed