SCHEMBL6532144

SCHEMBL6532144

CC(C)[As](CCn1cc(-c2ccccc2)c(OCc2ccccc2)n1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SQOR Q9Y6N5 1/20 0.38
GABRG2 P18507 3/20 0.36
GABRB3 P28472 3/20 0.36
GABRA1 P14867 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
PKM P14618 1/20 0.35
PDE5A O76074 1/20 0.35
BRD4 O60885 1/20 0.35
ENPP2 Q13822 1/20 0.35
DAPK1 P53355 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1384073 0.81 CNR2 (0.47) PDE10AALDH1A1LMNAHPGDTSHR
SCHEMBL1387091 0.81 MAOB (0.46) PDE10AALDH1A1LMNAHPGDTSHR
Hydrochloric Acid SCHEMBL2579429 0.80 CNR2 (0.46) PDE10AALDH1A1LMNAHPGDTSHR
Hydrochloric Acid SCHEMBL2581597 0.80 MAOB (0.45) PDE10AALDH1A1LMNAHPGDTSHR
SCHEMBL1385049 0.79 PDE10A (0.43) PDE10ASQORGABRG2GABRB3GABRA1
Hydrochloric Acid SCHEMBL2577843 0.78 PDE10A (0.42) PDE10ASQORGABRG2GABRB3GABRA1
SCHEMBL1384547 0.78 PDE10A (0.42) PDE10ASQORGABRG2GABRB3GABRA1
Hydrochloric Acid SCHEMBL2575915 0.77 POLB (0.42) PDE10ASQORGABRG2GABRB3GABRA1
SCHEMBL1386845 0.77 PDE10A (0.41) PDE10AHTTSQORGABRG2GABRB3
SCHEMBL27666359 0.77 SQOR (0.44) PDE10AALDH1A1LMNAHPGDTSHR

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-2005051917-A9 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2005-09-29 WO claimed