SCHEMBL8324388

SCHEMBL8324388

COc1cc(CN(C)C)ccc1F

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.54
HTR1A P08908 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR1E P28566 1/20 0.49
HTR2B P41595 1/20 0.49
HTR3A P46098 1/20 0.49
HTR5A P47898 1/20 0.49
HTR6 P50406 1/20 0.49
TAS2R14 Q9NYV8 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL8324389 0.85 HTR7 (0.58) HTR7HTR1AHTR1DHTR1BHTR2A
SCHEMBL5675706 0.82 HTR7 (0.64) HTR7HTR1AHTR1DHTR1BHTR2A
SCHEMBL3305551 0.82 TAS2R14 (0.44) HTR7TAS2R14KDM4EALDH1A1
SCHEMBL3162853 0.81 CA2 (0.45) TAS2R14LMNAKDM4EALDH1A1
SCHEMBL23630646 0.79 HRH3 (0.46) HTR7
SCHEMBL31207322 0.79 HRH3 (0.46) HTR7
SCHEMBL2432106 0.79 PTGS2 (0.52) KDM4EALDH1A1
SCHEMBL23972532 0.78 HRH3 (0.50) HTR7HTR2ALMNAALDH1A1
SCHEMBL11648537 0.78 TAAR1 (0.61) HTR7LMNAALDH1A1CYP3A4
SCHEMBL1961585 0.78 ALDH1A1 (0.67) HTR7HTR1AHTR1DHTR1BHTR2A

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
WO-2004069256-A1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2004-08-19 WO disclosed