SCHEMBL8552304

SCHEMBL8552304

CC(C)c1oc2ccc(NC(=O)c3ccccc3)cc2c1CCN(C)Cc1cnoc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.39
IL6 P05231 1/20 0.37
STAT3 P40763 1/20 0.37
MCHR1 Q99705 3/20 0.37
MAOB P27338 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
PTGES O14684 1/20 0.35
CYP19A1 P11511 1/20 0.35
NQO2 P16083 1/20 0.35
HDAC1 Q13547 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
SCHEMBL5906366 0.84 HTR1F (0.45) HDAC1
SCHEMBL8550328 0.83 FLT1 (0.37) MCHR1FLT1KDRPTGESHDAC1
SCHEMBL8211589 0.83 HTR1F (0.43) MCHR1MAOBFLT1KDRPTGES
SCHEMBL8548549 0.72 HTR1F (0.50) MCHR1FLT1KDRHDAC1
Sulfuric Acid SCHEMBL8552469 0.71 TMEM97 (0.42) MCHR1HDAC1
SCHEMBL8551588 0.69 TMEM97 (0.48) MCHR1FLT1KDRHDAC1
Oxalic Acid SCHEMBL8548077 0.68 EGFR (0.41)
SCHEMBL8548601 0.67 HTR1F (0.45)
SCHEMBL8549783 0.65 GRM5 (0.37) CA9MAOBKDR
SCHEMBL8549636 0.64 HTR1F (0.51) CA9MCHR1

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-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed