SCHEMBL9518073

SCHEMBL9518073

CC1(C)CCCC(N=C(N)NCCCCCCNCCCCCCNC(N)=NC2CCCC(C)(C)C2)C1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.35
NAAA Q02083 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
Iodide SCHEMBL9428900 0.99 SIGMAR1 (0.34) SIGMAR1NAAA
SCHEMBL9518381 0.79 SIGMAR1 (0.49) SIGMAR1NAAA
Iodide SCHEMBL9427758 0.78 SIGMAR1 (0.47) SIGMAR1NAAA
SCHEMBL9545112 0.71 NAAA (0.59) SIGMAR1NAAA
SCHEMBL27434311 0.68 SIGMAR1 (0.42) SIGMAR1NAAA
Iodide SCHEMBL9427887 0.66 SIGMAR1 (0.31) SIGMAR1
Iodide SCHEMBL9428896 0.65
SCHEMBL2735545 0.59
SCHEMBL20185668 0.58 SIGMAR1 (0.56) SIGMAR1
Hydrochloric Acid SCHEMBL9429220 0.57 SIGMAR1 (0.54) SIGMAR1

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-0472093-B1 Bis guanidines and fungicides containing same BASF AG (DE) 1993-11-03 EP claimed