SCHEMBL7205017

SCHEMBL7205017

COc1ccccc1C(=O)Cc1ccc2[nH]cc(C3CCN(C)CC3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 13/20 0.55
HTR1A P08908 3/20 0.55
HTR1F P30939 2/20 0.55
HTR1D P28221 12/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
THPO P40225 1/20 0.52
MAPT P10636 1/20 0.50
BLM P54132 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL7208638 0.87 HTR1D (0.54) HTR1BHTR1AHTR1FHTR1DCYP1A2
SCHEMBL7204020 0.86 HTR1D (0.53) HTR1BHTR1AHTR1FHTR1DCYP1A2
SCHEMBL7202253 0.84 HTR1D (0.53) HTR1BHTR1AHTR1FHTR1DCYP1A2
SCHEMBL7205815 0.83 HTR1D (0.51) HTR1BHTR1AHTR1FHTR1DCYP1A2
SCHEMBL7204458 0.83 HTR1D (0.52) HTR1BHTR1AHTR1FHTR1DCYP1A2
SCHEMBL7200765 0.83 HTR1D (0.54) HTR1BHTR1AHTR1FHTR1DCYP1A2
SCHEMBL7206940 0.83 HTR1D (0.54) HTR1BHTR1AHTR1FHTR1DCYP1A2
SCHEMBL7204016 0.83 HTR1D (0.52) HTR1BHTR1AHTR1FHTR1DCYP1A2
SCHEMBL8786074 0.82 HTR1D (0.63) HTR1BHTR1AHTR1FHTR1DCYP1A2
SCHEMBL9764751 0.82 HTR1D (0.65) HTR1BHTR1AHTR1FHTR1DCYP1A2

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
US-6608079-B1 Activating serotonin-1F receptors, inhibiting neuronal protein extravasation, treating migraine ELI LILLY AND COMPANY 2003-08-19 US disclosed