SCHEMBL8552954

SCHEMBL8552954

CCc1oc2ccc(NC(=O)c3ccc(F)cc3)cc2c1CCN(CC)CC.O=S(=O)(O)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
MAPT P10636 5/20 0.41
HTR1F P30939 1/20 0.40
HTR6 P50406 4/20 0.39
BCHE P06276 4/20 0.39
TP53 P04637 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8191015 0.83 HTR1F (0.51) POLBMAPTHTR1FHTR6BCHE
SCHEMBL8552957 0.78 HTR6 (0.36) HTR6THRATHRB
SCHEMBL8548601 0.70 HTR1F (0.45) HTR1F
SCHEMBL8551588 0.70 TMEM97 (0.48) MAPTHTR1FTP53SMN1; SMN2
SCHEMBL8552580 0.68 HTR1F (0.65) POLBMAPTHTR1FHTR6TP53
Hydrochloric Acid SCHEMBL8552084 0.67 MAPT (0.40) POLBMAPTHTR1FSMN1; SMN2THRB
SCHEMBL8548549 0.66 HTR1F (0.50) POLBMAPTHTR1FTP53SMN1; SMN2
Sulfuric Acid SCHEMBL8552469 0.64 TMEM97 (0.42) MAPTTP53RXFP1
SCHEMBL8548442 0.64 HTR1F (0.48) MAPTHTR1FTP53SMN1; SMN2KMT2A
SCHEMBL6240037 0.63 FGF1 (0.48) KMT2A

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