SCHEMBL9621722

SCHEMBL9621722

NCCCCCCCCCCCCNc1nc(N)nc(N(CCCCCCCCCCCCN)CCCCCCCCCCCCN)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.36
DRD2 P14416 5/20 0.36
HTR2A P28223 5/20 0.36
HTR7 P34969 5/20 0.36
HTR6 P50406 5/20 0.36
NPY1R P25929 1/20 0.36
NPY5R Q15761 1/20 0.36
TLR8 Q9NR97 2/20 0.35
SLC29A1 Q99808 2/20 0.35
PIM1 P11309 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
DNM2 P50570 6/20 0.32

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
SCHEMBL1274458 1.00 HTR1A (0.36) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7598929 1.00 HTR1A (0.36) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL2534130 0.98 NPY1R (0.36) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL1274425 0.91 HRH3 (0.37) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL25434244 0.87 SLC29A1 (0.49) TLR8SLC29A1DNM2
SCHEMBL11293174 0.87 SLC29A1 (0.49) TLR8SLC29A1DNM2
SCHEMBL21585426 0.82 HSP90AA1 (0.36) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL4163258 0.82 TLR8 (0.46) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL3809514 0.82 HTR7 (0.47) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL4161007 0.82 HTR7 (0.47) HTR1ADRD2HTR2AHTR7HTR6

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-0240867-B1 PROCESS FOR THE PREPARATION OF AMINOALKYL- OR -ARYLMELAMINES BASF Aktiengesellschaft (DE) 1992-02-19 EP disclosed
EP-0240867-A1 Process for the preparation of aminoalkyl- or -arylmelamines BASF Aktiengesellschaft (DE) 1987-10-14 EP disclosed