SCHEMBL7910322

SCHEMBL7910322

Cc1nc2c(cc1C(=O)NC(=N)N)C(=O)CCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.43
ACHE P22303 5/20 0.37
ADORA2A P29274 2/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 5/20 0.35
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL7916794 0.85 SLC9A1 (0.61) SLC9A1ACHENPC1RAB9ASMN1; SMN2
SCHEMBL927184 0.85 SLC9A1 (0.61) SLC9A1ACHENPC1RAB9ASMN1; SMN2
SCHEMBL7912931 0.83 SLC9A1 (0.59) SLC9A1ACHENPC1RAB9ASMN1; SMN2
SCHEMBL7913231 0.80 SLC9A1 (0.41) SLC9A1ACHERAB9ASMN1; SMN2KDM4E
Maleic Acid SCHEMBL7916788 0.79 SLC9A1 (0.54) SLC9A1ACHENPC1RAB9ASMN1; SMN2
SCHEMBL927447 0.77 SLC9A1 (0.39) SLC9A1ACHENPC1RAB9ASMN1; SMN2
SCHEMBL7911358 0.76 SLC9A1 (0.38) SLC9A1ACHERAB9ASMN1; SMN2TSHR
SCHEMBL7913350 0.76 SLC9A1 (0.37) SLC9A1ACHESMN1; SMN2KDM4EMAPT
SCHEMBL7910373 0.73 ACHE (0.56) ACHENPC1RAB9ASMN1; SMN2TSHR
SCHEMBL928773 0.72 SLC9A1 (0.35) SLC9A1ACHE

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