SCHEMBL21089220

SCHEMBL21089220

CN1CCC(c2c[nH]c3nc(Nc4ccc(F)c(F)c4)ccc23)CC1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.75
HTR1D P28221 9/20 0.46
HTR1B P28222 8/20 0.46
HTR1F P30939 7/20 0.46
HTR1A P08908 6/20 0.46
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
THPO P40225 1/20 0.41

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
SCHEMBL12285936 0.87 APP (0.74) APPHTR1DHTR1BHTR1FHTR1A
SCHEMBL12128866 0.87 APP (0.81) APP
SCHEMBL12129574 0.86 APP (1.00) APPHTR1F
SCHEMBL17805809 0.85 APP (0.75) APPCYP3A4CYP2D6
SCHEMBL21089219 0.83 APP (0.54) APPHTR1DHTR1BHTR1FHTR1A
SCHEMBL12128962 0.83 APP (0.69) APPHTR1DHTR1BHTR1FHTR1A
SCHEMBL17805808 0.82 APP (0.53) APPHTR1DHTR1BHTR1FHTR1A
SCHEMBL21088220 0.82 APP (0.84) APPHTR1DHTR1BHTR1FHTR1A
SCHEMBL12128821 0.82 APP (1.00) APPHTR1DHTR1BHTR1FHTR1A
SCHEMBL17806042 0.82 APP (0.72) APPHTR1DHTR1BHTR1FHTR1A

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-2558446-B1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2019-06-12 EP disclosed