SCHEMBL22067622

SCHEMBL22067622

C=C1Cc2c(CCN(CC)CC)cccc2N1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 13/20 0.58
▸ HTR1A P08908 3/20 0.58
▸ DRD1 P21728 2/20 0.58
▸ DRD4 P21917 2/20 0.58
▸ DRD5 P21918 2/20 0.58
▸ DRD3 P35462 2/20 0.58
▸ HTR2A P28223 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ CHRM2 P08172 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ ADRA2A P08913 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ ADRA2B P18089 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ ADRA1A P35348 1/20 0.58
▸ HRH1 P35367 1/20 0.58
▸ OPRM1 P35372 1/20 0.58

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
SCHEMBL14363798 0.90 DRD2 (0.71) DRD2HTR1ADRD1DRD4DRD5
SCHEMBL13320904 0.87 DRD2 (0.56) DRD2HTR1ADRD1DRD4DRD5
SCHEMBL13320909 0.81 DRD2 (0.56) DRD2HTR1ADRD1DRD4DRD5
SCHEMBL8285596 0.77 DRD2 (0.90) DRD2HTR1ADRD1DRD4DRD5
SCHEMBL13320907 0.75 DRD2 (0.41) DRD2HTR1ADRD1DRD4DRD5
Ropinirole SCHEMBL35212 0.73 DRD2 (1.00) DRD2HTR1ADRD1DRD4DRD5
Ropinirole SCHEMBL29374522 0.73 DRD2 (1.00) DRD2HTR1ADRD1DRD4DRD5
Ropinirole SCHEMBL4623647 0.72 APEX1 (1.00) DRD2HTR1ADRD1DRD4DRD5
Ropinirole SCHEMBL16044076 0.72 DRD2 (0.97) DRD2HTR1ADRD1DRD4DRD5
Ropinirole SCHEMBL40760 0.72 APEX1 (1.00) DRD2HTR1ADRD1DRD4DRD5

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-3662927-A2 VACCINE COMPOSITION NITTO DENKO CORPORATION (JP) 2020-06-10 — — EP disclosed
Send feedback