SCHEMBL8140362

SCHEMBL8140362

CC(C)(C)[Si](C)(C)OCCc1c[nH]c2ccc(F)cc12

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MPO P05164 15/20 0.55
HTR2A P28223 3/20 0.55
TRPM8 Q7Z2W7 1/20 0.55
HTR1A P08908 1/20 0.53
KMT2A Q03164 1/20 0.53
GPR84 Q9NQS5 1/20 0.52
SLC6A4 P31645 2/20 0.52

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
SCHEMBL7733863 0.93 MPO (0.56) MPOHTR2ATRPM8HTR1AKMT2A
SCHEMBL8129433 0.90 HTR2A (0.55) MPOHTR2ATRPM8HTR1AKMT2A
SCHEMBL1304576 0.87 MPO (0.60) MPOHTR2ATRPM8HTR1AKMT2A
SCHEMBL9093555 0.85 HTR2A (0.55) HTR2ATRPM8HTR1AGPR84SLC6A4
SCHEMBL7902192 0.81 HTR2A (0.50) MPOHTR2AHTR1AKMT2AGPR84
SCHEMBL25884870 0.79 MPO (0.65) MPOHTR2ATRPM8HTR1AKMT2A
SCHEMBL22152521 0.78 SLC6A4 (0.56) HTR2ATRPM8HTR1AGPR84SLC6A4
SCHEMBL2122451 0.74 MPO (0.75) MPOHTR2ATRPM8HTR1AKMT2A
SCHEMBL30969154 0.74 MPO (0.75) MPOHTR2ATRPM8HTR1AKMT2A
SCHEMBL17979949 0.74 NR3C1 (0.34) HTR2A

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-0971926-A1 DIHYDROPYRAZINO 1,2-$i(A)-]INDOLE-1-ONE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS SANOFI-SYNTHELABO (FR) 2000-01-19 EP disclosed
WO-1998042710-A1 DIHYDROPYRAZINO [1,2-A-]INDOLE-1-ONE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS SANOFI-SYNTHELABO (FR) 1998-10-01 WO disclosed