SCHEMBL7778382

SCHEMBL7778382

CCC(=O)Nc1cc(C2CCN(C)CC2)c[nH]1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 16/20 0.50
HTR1B P28222 14/20 0.50
HTR1F P30939 10/20 0.50
HTR1A P08908 5/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR1E P28566 1/20 0.50
HTR6 P50406 1/20 0.50
HTR4 Q13639 1/20 0.50
QDPR P09417 1/20 0.38

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
SCHEMBL8586357 0.88 HTR1F (0.53) HTR1DHTR1BHTR1FHTR1AHTR2A
SCHEMBL8653413 0.87 HTR1F (0.54) HTR1DHTR1BHTR1FHTR1AHTR2A
SCHEMBL8584756 0.85 HTR1D (0.51) HTR1DHTR1BHTR1FHTR1AQDPR
SCHEMBL8584939 0.84 HTR1D (0.37) HTR1DHTR1BHTR1FHTR1AHTR2A
SCHEMBL8613872 0.82 SIGMAR1 (0.48) HTR2A
SCHEMBL8586456 0.81 HTR1D (0.52) HTR1DHTR1BHTR1FHTR1AQDPR
SCHEMBL8586100 0.79 HTR1D (0.41) HTR1DHTR1BHTR1FHTR1AHTR2A
SCHEMBL8586359 0.79 HTR1F (0.53) HTR1DHTR1BHTR1FHTR1AHTR2A
SCHEMBL8586094 0.78 HTR1D (0.40) HTR1DHTR1BHTR1FHTR1AHTR2A
SCHEMBL8636423 0.78 HTR1F (0.54) HTR1DHTR1BHTR1FHTR1AHTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2001503774-A 2001-03-21 JP claimed
WO-1998020875-A1 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-05-22 WO claimed