SCHEMBL8548197

SCHEMBL8548197

Cc1oc2ccc(N(C(N)=O)c3ccccc3C(F)(F)F)cc2c1CCN(C)Cc1ncc([N+](=O)[O-])cn1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8547960 0.94 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7140896 0.86 POLB (0.34) ALDH1A1
SCHEMBL8548284 0.86 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7143041 0.80 POLB (0.34) HTTSMN1; SMN2ALDH1A1
SCHEMBL8551905 0.80 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8549583 0.70 HIF1A (0.39) HTT
SCHEMBL8431918 0.68 MAPT (0.34) ALDH1A1L3MBTL1
SCHEMBL8692650 0.68
SCHEMBL8434358 0.66 MAPT (0.33) ALDH1A1L3MBTL1
SCHEMBL8548340 0.63 HTT (0.43) HTTALDH1A1L3MBTL1

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