SCHEMBL27455034

SCHEMBL27455034

CCC(C(N)=O)(c1ccccc1)c1ccccc1F

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 10/20 0.59
KCNE1 P15382 1/20 0.54
KCNQ1 P51787 1/20 0.54
CHRM3 P20309 4/20 0.44
CHRM2 P08172 2/20 0.44
CHRM1 P11229 2/20 0.44
LMNA P02545 1/20 0.44
CYP2D6 P10635 1/20 0.44
KCNH2 Q12809 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
KIF11 P52732 1/20 0.40

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
SCHEMBL4030430 0.83 MAPT (0.55) KCNN4CHRM3CHRM2CHRM1LMNA
Hydrochloric Acid SCHEMBL5252883 0.81 MAPT (0.53) KCNN4CHRM3CHRM2CHRM1LMNA
SCHEMBL1784375 0.75 KCNN4 (1.00) KCNN4KCNE1KCNQ1MAPTKMT2A
SCHEMBL2332073 0.75 KCNN4 (1.00) KCNN4KCNE1KCNQ1MAPTKMT2A
SCHEMBL28306699 0.74 KCNN4 (0.50) KCNN4KCNE1KCNQ1KMT2AKIF11
SCHEMBL28306690 0.74 KCNN4 (0.50) KCNN4KCNE1KCNQ1KMT2AKIF11
SCHEMBL2202827 0.74 CHRM3 (0.47) CHRM3CHRM2CHRM1LMNACYP2D6
SCHEMBL5898610 0.73 NOS3 (0.43) KCNN4LMNAKDM4EKMT2A
SCHEMBL9295790 0.73 CHRM3 (0.59) CHRM3CHRM2CHRM1LMNACYP2D6
SCHEMBL22313032 0.73 GRIN1 (0.76) KCNN4KCNE1KCNQ1CHRM3CHRM2

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
CN-1149252-A Novel substituted tryptamines, phenylalkylamines and the like INTERNEURON PHARMA (US) 1997-05-07 CN claimed
CN-1149252-A Novel substituted tryptamines, phenylalkylamines and the like INTERNEURON PHARMA (US) 1997-05-07 CN disclosed