SCHEMBL4765378

SCHEMBL4765378

CN1CCN(C(C=O)N2CCC(c3cccc(N)c3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.41
QDPR P09417 1/20 0.37
DRD1 P21728 2/20 0.36
DRD2 P14416 5/20 0.35
SIGMAR1 Q99720 1/20 0.35
DRD3 P35462 2/20 0.35
HTR6 P50406 2/20 0.35
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TAF1 P21675 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
FAAH O00519 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL4769338 0.84 SLC18A3 (0.40) ADRA2CQDPRDRD2KCNH2HRH3
SCHEMBL328311 0.81 QDPR (0.53) ADRA2CQDPRDRD1DRD2SIGMAR1
SCHEMBL4764932 0.79 DDB1 (0.34) DRD1DRD2SIGMAR1DRD3KCNH2
SCHEMBL10127720 0.73 GRIN2B (0.48) ADRA2CQDPRTAF1HTR1DHTR1B
SCHEMBL27682140 0.72 DDB1 (0.41) DRD1DRD2SIGMAR1DRD3DRD4
SCHEMBL3530693 0.71 TLR9 (0.48) ADRA2CDRD2DRD3DRD4FAAH
SCHEMBL4572968 0.70 DRD2 (0.43) DRD1DRD2SIGMAR1DRD3DRD4
SCHEMBL19953550 0.70 ADRA2C (0.47) ADRA2CDRD1DRD3KCNH2HRH3
SCHEMBL273350 0.69 CYP3A4 (0.50) CA1CA2CA9CA14
SCHEMBL29411064 0.69 CYP3A4 (0.50) CA1CA2CA9CA14

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
EP-1937681-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-02 EP disclosed
WO-2007033232-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-03-22 WO disclosed