SCHEMBL6619909

SCHEMBL6619909

CNC(=O)c1ccc2ccn(C3CCN(C(F)Cc4ccccc4)CC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR1F P30939 1/20 0.46
ACSS2 Q9NR19 1/20 0.39
SCD O00767 2/20 0.38
DRD4 P21917 3/20 0.38
RORC P51449 1/20 0.38
SCN9A Q15858 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
SLC6A12 P48065 1/20 0.37
SLC6A13 Q9NSD5 1/20 0.37
DRD2 P14416 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC7A5 Q01650 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAP3K5 Q99683 1/20 0.35

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
SCHEMBL4081920 0.86 SCD (0.40) HTR1AHTR1DHTR1BHTR1FSCD
SCHEMBL4076932 0.82 HTR1A (0.39) HTR1AHTR1DHTR1BHTR1FACSS2
SCHEMBL5871737 0.81 SCD (0.45) HTR1AHTR1DHTR1BHTR1FSCD
SCHEMBL5871549 0.80 HTT (0.39) HTR1AHTR1DHTR1BHTR1FDRD2
SCHEMBL4073398 0.80 ALDH1A1 (0.39) HTR1AHTR1DHTR1BHTR1FDRD2
SCHEMBL5871706 0.80 TACR1 (0.41) HTR1AHTR1DHTR1BHTR1FSCD
SCHEMBL5201280 0.80 TACR1 (0.41) HTR1AHTR1DHTR1BHTR1FSCD
SCHEMBL544609 0.80 SMN1; SMN2 (0.48) HTR1AHTR1DHTR1BHTR1F
SCHEMBL5871626 0.79 HTT (0.39) HTR1AHTR1DHTR1BHTR1F
SCHEMBL5871563 0.79 HTT (0.39) HTR1AHTR1DHTR1BHTR1FACSS2

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-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP claimed