SCHEMBL8552957

SCHEMBL8552957

CCc1oc2ccc(N(c3ccc(F)cc3)S(=O)(=O)c3cccc4ccccc34)cc2c1CCN(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
C1R P00736 1/20 0.31
PRSS1 P07477 1/20 0.31
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 1/20 0.30
DRD3 P35462 1/20 0.30
CYP2C19 P33261 1/20 0.30
SLC6A4 P31645 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
SCHEMBL8191018 0.81 HTR6 (0.42) HTR6HTR1AHTR2AHTR2CHTR7
SCHEMBL8552954 0.78 POLB (0.41) HTR6THRATHRB
SCHEMBL3698727 0.64 CA9 (0.47) HTR6C1RPRSS1HTR1AHTR2A
SCHEMBL3703471 0.63 CA1 (0.53) HTR6C1RPRSS1HTR1AHTR2A
SCHEMBL3698233 0.62 CA1 (0.45) HTR6C1RPRSS1HTR1AHTR2A
SCHEMBL13979927 0.60 HTT (0.64) HTR2AHTR2CCYP2C19
SCHEMBL14415470 0.58 HTR2A (0.51) HTR6C1RPRSS1HTR2AHTR2C
SCHEMBL14415467 0.58 HTT (0.54) C1RPRSS1HTR2AHTR2CHTR7
SCHEMBL878485 0.57 CA1 (0.61) HTR6PRSS1HTR2AHTR2CCYP2C19
SCHEMBL15851886 0.56 AHR (0.39)

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