SCHEMBL9753282

SCHEMBL9753282

COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc2c(C(C)C)c(CO)c(-c3ccc(F)cc3)nn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 4/20 0.46
CACNA1D Q01668 4/20 0.46
CACNA1S Q13698 4/20 0.46
CACNA1C Q13936 4/20 0.46
GCGR P47871 2/20 0.40
KDM4E B2RXH2 4/20 0.37
NR1I2 O75469 1/20 0.36
PDE1C Q14123 2/20 0.36
ADORA3 P0DMS8 1/20 0.35
HSD17B10 Q99714 3/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RAB9A P51151 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9753297 0.91 CACNA1F (0.34) CACNA1FCACNA1DCACNA1SCACNA1CGCGR
SCHEMBL9753738 0.86 CACNA1F (0.42) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL9753344 0.83 CACNA1F (0.40) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL9753343 0.83 CACNA1F (0.40) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL9753038 0.81 GCGR (0.47) GCGRKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL9753752 0.79 CACNA1F (0.37) CACNA1FCACNA1DCACNA1SCACNA1CNR1I2
SCHEMBL9753739 0.79 CACNA1F (0.37) CACNA1FCACNA1DCACNA1SCACNA1CNR1I2
SCHEMBL9753709 0.79 HMGCR (0.47) NR1I2ADORA3ALDH1A1
SCHEMBL27365134 0.78 CACNA1F (0.36) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E
SCHEMBL9753309 0.75 MAPK14 (0.43) GCGR

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-1991018903-A1 PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-12 WO disclosed