SCHEMBL7200747

SCHEMBL7200747

CNc1cccc(C(=O)Cc2ccc3[nH]cc(C4CCN(C)CC4)c3c2)c1NC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 13/20 0.54
HTR1B P28222 13/20 0.54
HTR1A P08908 3/20 0.54
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
HTR1F P30939 2/20 0.51
MAPT P10636 1/20 0.50
BLM P54132 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
APP P05067 1/20 0.46
HTR6 P50406 2/20 0.44

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
SCHEMBL7206438 0.85 HTR1D (0.58) HTR1DHTR1BHTR1ACYP1A2CYP3A4
SCHEMBL7202253 0.83 HTR1D (0.53) HTR1DHTR1BHTR1ACYP1A2CYP3A4
SCHEMBL7204458 0.83 HTR1D (0.52) HTR1DHTR1BHTR1ACYP1A2CYP3A4
SCHEMBL7208638 0.82 HTR1D (0.54) HTR1DHTR1BHTR1ACYP1A2CYP3A4
SCHEMBL7202271 0.82 HTR1D (0.56) HTR1DHTR1BHTR1ACYP1A2CYP3A4
SCHEMBL7204020 0.81 HTR1D (0.53) HTR1DHTR1BHTR1ACYP1A2CYP3A4
SCHEMBL7199530 0.81 HTR1D (0.53) HTR1DHTR1BHTR1ACYP1A2CYP3A4
SCHEMBL7205017 0.81 HTR1B (0.55) HTR1DHTR1BHTR1ACYP1A2CYP3A4
SCHEMBL7201061 0.80 HTR1D (0.56) HTR1DHTR1BHTR1ACYP1A2CYP3A4
SCHEMBL7200478 0.79 HTR1B (0.59) HTR1DHTR1BHTR1AHTR1FHTR6

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