SCHEMBL28032013

SCHEMBL28032013

O=COc1ncccc1Br

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
PDE10A Q9Y233 6/20 0.36
ALDH1A1 P00352 2/20 0.35
GRM4 Q14833 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DRD1 P21728 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
AXL P30530 1/20 0.32
CDC25B P30305 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
SCHEMBL15924131 0.80 TRIM24 (0.34) TRIM24TRIM33PDE10AALDH1A1LMNA
SCHEMBL3878940 0.76 PDE10A (0.43) TRIM24TRIM33PDE10AALDH1A1LMNA
SCHEMBL19083206 0.76 TRIM24 (0.34) TRIM24TRIM33ALDH1A1LMNASMN1; SMN2
SCHEMBL28020728 0.76 ERN1 (0.43) TRIM24TRIM33ALDH1A1LMNANPC1
SCHEMBL25552636 0.73 CHRNB4 (0.42) ALDH1A1NPC1RAB9A
SCHEMBL3684308 0.73 PDE10A (0.43) PDE10AALDH1A1GRM4LMNASMN1; SMN2
SCHEMBL30181916 0.72
SCHEMBL610170 0.72
Formaldehyde SCHEMBL29210889 0.72 APLNR (0.43) PDE10AALDH1A1DRD1NPC1RAB9A
SCHEMBL29133119 0.72 HTR2A (0.40) TRIM24TRIM33ALDH1A1

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
CN-102781942-B Octahydro pyrrolo-[3,4-c] pyrroles is replaced as two of orexin receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2015-09-23 CN disclosed