SCHEMBL8413804

SCHEMBL8413804

Nc1nc(-c2cc(Cl)ccc2Cl)nc(N2CCN(c3ncccn3)CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.58
PDE4D Q08499 1/20 0.58
HRH4 Q9H3N8 9/20 0.58
HTR6 P50406 6/20 0.50
HRH3 Q9Y5N1 1/20 0.50
DRD2 P14416 5/20 0.44
HTR7 P34969 5/20 0.44
HTR1A P08908 1/20 0.44
HTR2A P28223 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL8413668 0.88 HTR2B (0.58) HTR2BPDE4DHRH4HTR6HRH3
SCHEMBL8410106 0.87 HTR2B (0.65) HTR2BPDE4DHRH4HTR6HRH3
SCHEMBL8412358 0.87 HTR2B (0.65) HTR2BPDE4DHRH4HTR6HRH3
SCHEMBL8412371 0.86 HTR2B (0.63) HTR2BPDE4DHRH4HTR6HRH3
SCHEMBL8409850 0.86 HTR2B (0.63) HTR2BPDE4DHRH4HTR6HRH3
SCHEMBL8410739 0.84 HTR2B (0.65) HTR2BPDE4DHRH4HTR6HRH3
SCHEMBL8413765 0.84 HTR2B (0.60) HTR2BPDE4DHRH4HTR6HRH3
SCHEMBL8413485 0.84 HTR2B (0.60) HTR2BPDE4DHRH4HTR6HRH3
SCHEMBL8410791 0.84 HTR2B (0.60) HTR2BPDE4DHRH4HTR6HRH3
SCHEMBL8413825 0.82 HTR2B (0.58) HTR2BPDE4DHRH4HTR6HRH3

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-5962453-A HEPATITIS THERAPY NIPPON SHINYAKU CO. LTD. (JP) 1999-10-05 US disclosed
EP-0775487-A1 TRIAZINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1997-05-28 EP disclosed