SCHEMBL11122002

SCHEMBL11122002

NC(=O)C1(N2CCCCC2)CCN(CCC(=O)Cc2ccc(F)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
HTR1A P08908 2/20 0.66
ADRA2A P08913 2/20 0.66
DRD1 P21728 2/20 0.66
SLC6A4 P31645 2/20 0.66
ADRA1A P35348 2/20 0.66
OPRM1 P35372 2/20 0.66
DRD3 P35462 2/20 0.66
SLC6A3 Q01959 2/20 0.66
KCNH2 Q12809 2/20 0.66
HRH3 Q9Y5N1 2/20 0.66
TSHR P16473 1/20 0.54
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
TBXA2R P21731 1/20 0.48
SLC6A2 P23975 1/20 0.48
THRB P10828 1/20 0.47
TP53 P04637 1/20 0.44

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
SCHEMBL6976684 0.83 ALDH1A1 (0.57) ALDH1A1HRH3TSHRSMN1; SMN2MAPT
Pipamperone SCHEMBL2412 0.80 HTR1A (1.00) ALDH1A1HTR1AADRA2ADRD1SLC6A4
Pipamperone SCHEMBL6621425 0.80 HTR1A (1.00) ALDH1A1HTR1AADRA2ADRD1SLC6A4
Pipamperone SCHEMBL10533161 0.79 HTR1A (0.98) ALDH1A1HTR1AADRA2ADRD1SLC6A4
Pipamperone SCHEMBL364623 0.79 HTR1A (0.98) ALDH1A1HTR1AADRA2ADRD1SLC6A4
Pipamperone SCHEMBL647930 0.79 HTR1A (0.98) ALDH1A1HTR1AADRA2ADRD1SLC6A4
Pipamperone SCHEMBL14696833 0.79 HTR1A (0.98) ALDH1A1HTR1AADRA2ADRD1SLC6A4
Pipamperone SCHEMBL8764867 0.79 HTR1A (0.98) ALDH1A1HTR1AADRA2ADRD1SLC6A4
Pipamperone SCHEMBL4671026 0.79 HTR1A (0.98) ALDH1A1HTR1AADRA2ADRD1SLC6A4
Pipamperone SCHEMBL8327319 0.78 HTR1A (0.96) ALDH1A1HTR1AADRA2ADRD1SLC6A4

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-0125046-A1 Process for preparing pyrimidinetrione derivatives SAPOS S.A. (CH) 1984-11-14 EP disclosed