SCHEMBL4764932

SCHEMBL4764932

CN(C)C(C=O)N1CCC(c2cccc(N)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
DRD2 P14416 7/20 0.33
SIGMAR1 Q99720 1/20 0.33
OPRM1 P35372 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
DHFR P00374 2/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL4768850 0.84 SLC18A3 (0.40) DRD2OPRM1KCNH2HRH3
SCHEMBL15652124 0.81 HTR1D (0.34)
SCHEMBL4765378 0.79 ADRA2C (0.41) DRD2SIGMAR1KCNH2HRH3DRD1
SCHEMBL328311 0.73 QDPR (0.53) DRD2SIGMAR1DRD1
SCHEMBL27682140 0.72 DDB1 (0.41) DDB1CRBNDRD2SIGMAR1DRD1
SCHEMBL4572968 0.71 DRD2 (0.43) DDB1CRBNDRD2SIGMAR1DRD1
SCHEMBL3531340 0.70 TLR9 (0.47) OPRM1HRH3
SCHEMBL273350 0.70 CYP3A4 (0.50) DDB1CRBNCA1CA2CA9
SCHEMBL29411064 0.70 CYP3A4 (0.50) DDB1CRBNCA1CA2CA9
SCHEMBL2651932 0.70 QDPR (0.60) SIGMAR1KCNH2HRH3

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