SCHEMBL11112404

SCHEMBL11112404

Cc1c(Cl)ncnc1NCCCOc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.53
▸ PIK3R1 P27986 1/20 0.53
▸ HTR1B P28222 2/20 0.47
▸ DRD2 P14416 12/20 0.46
▸ DRD4 P21917 12/20 0.46
▸ DRD3 P35462 9/20 0.46
▸ HTR1D P28221 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GPR84 Q9NQS5 1/20 0.42
▸ HTR7 P34969 1/20 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
SCHEMBL11101849 0.84 DRD2 (0.47) HTR1BDRD2DRD4DRD3
SCHEMBL11290156 0.83 LMNA (0.46) PIK3CDPIK3R1DRD2DRD4DRD3
SCHEMBL11109561 0.82 DRD2 (0.47) PIK3CDPIK3R1DRD2DRD4DRD3
SCHEMBL11102255 0.81 PIK3CD (0.53) PIK3CDPIK3R1HTR1BDRD2DRD4
SCHEMBL11104537 0.81 PIK3CD (0.56) PIK3CDPIK3R1HTR1BDRD2DRD4
SCHEMBL11110238 0.80 LMNA (0.45) PIK3CDPIK3R1L3MBTL1
SCHEMBL11102550 0.80 DRD2 (0.45) PIK3CDPIK3R1HTR1BDRD2DRD4
SCHEMBL11103109 0.79 PIK3CD (0.51) PIK3CDPIK3R1HTR1BDRD2DRD4
SCHEMBL11109514 0.79 PIK3CD (0.57) PIK3CDPIK3R1HTR1BDRD2DRD4
SCHEMBL11101221 0.78 PIK3CD (0.54) PIK3CDPIK3R1HTR1BDRD2DRD4

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-4435402-A Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY, LIMITED (JP) 1984-03-06 — — US disclosed
EP-0057440-A1 Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY LIMITED (JP) 1982-08-11 — — EP disclosed
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