SCHEMBL14765286

SCHEMBL14765286

[CH2]Cc1nc(-c2ccccc2)nn1CC1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.44
LMNA P02545 5/20 0.41
NR1H3 Q13133 5/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
RAB9A P51151 3/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CREBBP Q92793 1/20 0.39
TDP2 O95551 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 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
SCHEMBL14736859 0.83 PDE10A (0.47) PDE10ALMNANR1H3ALDH1A1GAA
Hydrochloric Acid SCHEMBL14736798 0.82 PDE10A (0.46) PDE10ALMNANR1H3ALDH1A1GAA
SCHEMBL14736857 0.80 PDE10A (0.47) PDE10ALMNAALDH1A1GAARAB9A
SCHEMBL14736479 0.77 PDE10A (0.61) PDE10ALMNANR1H3ALDH1A1GAA
SCHEMBL1272731 0.65 PDE10A (0.41) PDE10ALMNANR1H3ALDH1A1GAA
SCHEMBL14736525 0.65 PDE10A (0.45) PDE10ALMNANR1H3ALDH1A1GAA
SCHEMBL15653455 0.65 RAB9A (0.36) LMNAALDH1A1GAARAB9AMEN1
Hydrochloric Acid SCHEMBL14736548 0.64 PDE10A (0.45) PDE10ALMNANR1H3ALDH1A1GAA
SCHEMBL23566114 0.64 CRHR1 (0.58) PDE10ALMNAALDH1A1RAB9AMEN1
SCHEMBL3023672 0.64 CRHR1 (0.43) LMNAALDH1A1GAARAB9AMEN1

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
EP-2753604-B1 PDE10 MODULATORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
WO-2013034506-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 WO disclosed