SCHEMBL16503540

SCHEMBL16503540

CC=C(N=C(N)N)c1ccc2cccc(-c3ncc(C4CC4)cc3Cl)c2c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 11/20 0.36
KDM4E B2RXH2 1/20 0.34
GRM4 Q14833 1/20 0.31
SLC9A1 P19634 1/20 0.31
SLC9A2 Q9UBY0 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
SCHEMBL7919099 1.00 HTR5A (0.36) HTR5AKDM4EGRM4SLC9A1SLC9A2
SCHEMBL16502851 0.87 HTR5A (0.50) HTR5ASLC9A1SLC9A2
SCHEMBL7921834 0.80 MRGPRX4 (0.43) KDM4EGRM4
SCHEMBL7913836 0.79 KDM4E (0.36) KDM4EGRM4
SCHEMBL16502745 0.79 SLC6A3 (0.41) KDM4EGRM4
SCHEMBL16502836 0.72 HTR5A (0.53) HTR5ASLC9A1
SCHEMBL16502829 0.72 HTR5A (0.55) HTR5ASLC9A1
SCHEMBL7911041 0.71 F2 (0.35) HTR5AKDM4EGRM4SLC9A1
SCHEMBL16494594 0.70 HTR5A (0.66) HTR5ASLC9A1
SCHEMBL12875073 0.68 HTR5A (0.74) HTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2394987-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-14 EP disclosed