SCHEMBL20778667

SCHEMBL20778667

Fc1ccc(CN[C@@H]2CCNC[C@H]2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRM1 P11229 2/20 0.46
KDM1A O60341 3/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
SSTR3 P32745 3/20 0.44
PRKAA2 P54646 1/20 0.42
SSTR4 P31391 2/20 0.42
SSTR1 P30872 1/20 0.42
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 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
SCHEMBL20778668 1.00 MEN1 (0.47) MEN1KMT2ACHRM1KDM1AMAOA
SCHEMBL20778669 1.00 MEN1 (0.47) MEN1KMT2ACHRM1KDM1AMAOA
SCHEMBL20795207 1.00 MEN1 (0.47) MEN1KMT2ACHRM1KDM1AMAOA
SCHEMBL20781110 1.00 MEN1 (0.47) MEN1KMT2ACHRM1KDM1AMAOA
SCHEMBL20794875 1.00 MEN1 (0.47) MEN1KMT2ACHRM1KDM1AMAOA
SCHEMBL3134201 0.86 KDM1A (0.45) KDM1AMAOAMAOBSSTR4SSTR1
SCHEMBL21564402 0.86 KDM1A (0.45) KDM1AMAOAMAOBSSTR4SSTR1
SCHEMBL8651321 0.86 KDM1A (0.45) KDM1AMAOAMAOBSSTR4SSTR1
SCHEMBL4447151 0.86 KDM1A (0.45) KDM1AMAOAMAOBSSTR4SSTR1
SCHEMBL20765922 0.85 CHRM1 (0.44) CHRM1PRKAA2SSTR4SSTR1SLC6A2

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-2019040107-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed