SCHEMBL10459702

SCHEMBL10459702

N#Cc1cc(Cl)c(NC(=O)CN2CCN(CCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C(C(N)=O)C2)c(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 2/20 0.72
KCNH2 Q12809 6/20 0.46
HTR2A P28223 5/20 0.46
DRD3 P35462 5/20 0.46
SLC6A3 Q01959 5/20 0.46
DRD2 P14416 4/20 0.46
ADORA3 P0DMS8 4/20 0.46
ADRA1A P35348 4/20 0.46
HRH1 P35367 4/20 0.46
OPRD1 P41143 4/20 0.46
OPRK1 P41145 4/20 0.46
KMT2A Q03164 4/20 0.46
SLC6A2 P23975 3/20 0.46
MEN1 O00255 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
SLC6A4 P31645 2/20 0.46
HTR2B P41595 2/20 0.46
USP2 O75604 2/20 0.46
MLNR O43193 1/20 0.46

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
SCHEMBL10460327 0.94 SLC29A1 (0.82) SLC29A1KCNH2HTR2ADRD3SLC6A3
SCHEMBL10459777 0.91 SLC29A1 (0.78) SLC29A1KCNH2HTR2ADRD3SLC6A3
Hydrochloric Acid SCHEMBL9808242 0.90 SLC29A1 (0.86) SLC29A1KCNH2HTR2ADRD3SLC6A3
SCHEMBL10460559 0.88 SLC29A1 (0.73) SLC29A1KCNH2HTR2ADRD3SLC6A3
Hydrochloric Acid SCHEMBL10678583 0.88 SLC29A1 (0.81) SLC29A1KCNH2HTR2ADRD3SLC6A3
Hydrochloric Acid SCHEMBL7801696 0.88 SLC29A1 (0.72) SLC29A1KCNH2HTR2ADRD3SLC6A3
SCHEMBL9808198 0.87 SLC29A1 (0.71) SLC29A1KCNH2HTR2ADRD3SLC6A3
Mioflazine SCHEMBL119416 0.86 SLC29A1 (0.68) SLC29A1KCNH2HTR2ADRD3SLC6A3
Mioflazine SCHEMBL124029 0.86 SLC29A1 (0.70) SLC29A1KCNH2HTR2ADRD3SLC6A3
Mioflazine SCHEMBL8675598 0.85 SLC29A1 (0.69) SLC29A1KCNH2HTR2ADRD3SLC6A3

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
US-4968684-A N-ARYL-PIPERAZINEALKANAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1990-11-06 US claimed