SCHEMBL9198645

SCHEMBL9198645

CCc1ncnc(NC(CC)CCCCCCOC)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 2/20 0.37
PDE1A P54750 1/20 0.34
PDE1C Q14123 1/20 0.34
CRHR1 P34998 15/20 0.34
CHRM4 P08173 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9195275 0.87 CRHR1 (0.36) PDE1BPDE1APDE1CCRHR1KDM4E
SCHEMBL8095407 0.87 CRHR1 (0.37) PDE1BPDE1APDE1CCRHR1KDM4E
SCHEMBL9200905 0.86 CRHR1 (0.36) PDE1BPDE1APDE1CCRHR1KDM4E
SCHEMBL9197511 0.85 CRHR1 (0.33) PDE1BCRHR1KDM4ENPC1HPGD
SCHEMBL9194030 0.85 KDM4E (0.33) PDE1BCRHR1KDM4E
SCHEMBL9199144 0.85 PDE1B (0.32) PDE1BCRHR1KDM4ENPC1HPGD
SCHEMBL9198028 0.85 CRHR1 (0.38) PDE1BPDE1APDE1CCRHR1KDM4E
SCHEMBL9198886 0.85 CRHR1 (0.35) PDE1BPDE1APDE1CCRHR1KDM4E
SCHEMBL9192875 0.85 KDM4E (0.35) PDE1BPDE1APDE1CCRHR1KDM4E
SCHEMBL9196334 0.84 CRHR1 (0.34) PDE1BPDE1APDE1CCRHR1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0323757-B1 Alkylaminopyrimidine derivative, process for producing the same, and insecticide, acaricide and fungicide containing the same as active ingredient UBE INDUSTRIES (JP) 1995-05-10 EP disclosed
US-4931455-A Alkylaminopyrimidine derivative and insecticide, acaricide and fungicide containing the same as active ingredient UBE INDUSTRIES, LTD. (JP) 1990-06-05 US disclosed
EP-0323757-A2 Alkylaminopyrimidine derivative, process for producing the same, and insecticide, acaricide and fungicide containing the same as active ingredient UBE INDUSTRIES, LTD. (JP) 1989-07-12 EP disclosed