SCHEMBL9506325

SCHEMBL9506325

COC(=O)OC1=C(C)Nc2c(c(CC(C)C)nn2C)C1c1ccccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
TSHR P16473 1/20 0.38
CACNA1F O60840 3/20 0.32
CACNA1D Q01668 3/20 0.32
CACNA1S Q13698 3/20 0.32
CACNA1C Q13936 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 2/20 0.32
NR1I2 O75469 2/20 0.32
ABCC4 O15439 1/20 0.32
ABCB11 O95342 1/20 0.32
NR3C1 P04150 1/20 0.32
CYP1A2 P05177 1/20 0.32
PGR P06401 1/20 0.32
ABCB1 P08183 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CNR1 P21554 1/20 0.32
ADORA2A P29274 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
SCHEMBL7280240 0.87 CACNA1C (0.48) TSHRCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7437834 0.87 GAA (0.46) GAATSHRCACNA1FCACNA1DCACNA1S
SCHEMBL9506294 0.84 GAA (0.33) GAATSHRCACNA1FCACNA1DCACNA1S
Hydrochloric Acid SCHEMBL7272589 0.79 LMNA (0.37) GAATSHRCACNA1CKDM4ELMNA
SCHEMBL10786109 0.76 TSHR (0.47) GAATSHRCACNA1FCACNA1DCACNA1S
SCHEMBL7271327 0.75 CACNA1C (0.60) TSHRCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9691213 0.73 TSHR (0.44) GAATSHRCACNA1FCACNA1DCACNA1S
SCHEMBL7273003 0.72 CACNA1C (0.46) TSHRCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7273014 0.72 CACNA1C (0.46) TSHRCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7280639 0.71 LMNA (0.54) GAATSHRCACNA1FCACNA1DCACNA1S

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
EP-0361382-B1 ANTIEPILEPTIC PYRAZOLOPYRIDINES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-06-16 EP claimed