SCHEMBL7916773

SCHEMBL7916773

COC1CCCCc2cc(C(=O)NC(=N)N)c(C)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.37
KDM4E B2RXH2 4/20 0.32
ACHE P22303 3/20 0.32
OPRK1 P41145 2/20 0.31
SMN1; SMN2 Q16637 3/20 0.30
MEN1 O00255 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
KMT2A Q03164 1/20 0.30
RELA Q04206 1/20 0.30
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
OPRM1 P35372 1/20 0.30
POLB P06746 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL7910351 0.97 SLC9A1 (0.35) SLC9A1KDM4EACHESMN1; SMN2ALDH1A1
SCHEMBL7903007 0.85 SLC9A1 (0.39) SLC9A1KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL1998766 0.85 SLC9A1 (0.39) SLC9A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL7913174 0.84 SLC9A1 (0.38) SLC9A1KDM4EACHESMN1; SMN2ALDH1A1
SCHEMBL1998764 0.84 SLC9A1 (0.38) SLC9A1KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL926591 0.83 SLC9A1 (0.39) SLC9A1KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL7902762 0.82 SLC9A1 (0.37) SLC9A1KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL7911308 0.82 SLC9A1 (0.37) SLC9A1KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL8132938 0.81 SLC9A1 (0.36) SLC9A1CNR1CNR2
SCHEMBL2006215 0.80 SLC9A1 (0.32) SLC9A1

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-6258829-B1 ANTIARRTHMIA AGENTS AND CARDIOVASCULAR DISORDERS TOA EIYO LTD. (JP) 2001-07-10 US disclosed
EP-0972767-A1 CYCLOALKA[b]PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND DRUGS CONTAINING THE SAME TOA EIYO LTD. (JP) 2000-01-19 EP disclosed