SCHEMBL9428289

SCHEMBL9428289

Cn1c(N2CCN(CCc3ccc(F)cc3)CC2)cc(=O)[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.49
KCNH2 Q12809 2/20 0.47
KCNJ1 P48048 1/20 0.47
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C9 P11712 1/20 0.42
DAO P14920 1/20 0.42
HTR2A P28223 6/20 0.41
DRD2 P14416 5/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
MAOA P21397 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
DRD1 P21728 2/20 0.41
DRD5 P21918 2/20 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
SCHEMBL9383407 0.83 KCNJ1 (0.61) KCNH2KCNJ1MAOASIGMAR1
SCHEMBL9428430 0.81 SMN1; SMN2 (0.60) HTR1AKCNH2KCNJ1ADRA1DADRA1A
SCHEMBL17884143 0.71 LMNA (0.54)
SCHEMBL5745400 0.71 KCNJ1 (0.61) KCNH2KCNJ1USP2HTR2AHTR2C
SCHEMBL9429342 0.71 DRD3 (0.56) HTR1ASMN1; SMN2HTR2ADRD2SIGMAR1
SCHEMBL9428318 0.70 MEN1 (0.54) ADRA1DADRA1AADRA1B
SCHEMBL20818756 0.70 KMT2A (0.50) ADRA1DADRA1AADRA1BSMN1; SMN2TSHR
SCHEMBL9428716 0.69 ALDH1A1 (0.52) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL9428246 0.69 MEN1 (0.52) HTR1AADRA1DADRA1AADRA1BHTR2A
SCHEMBL9428322 0.69 SLC6A3 (0.57) HTR1AKCNH2HTR2ADRD2SIGMAR1

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
US-5332739-A Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-07-26 US disclosed
EP-0454498-A2 Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-10-30 EP disclosed