SCHEMBL9518372

SCHEMBL9518372

N=C(N)N(CCCCCCCCNCCCCCCCCN(C(=N)N)C1CCCCC1)C1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.32
MC5R P33032 1/20 0.32
MC3R P41968 1/20 0.32
ALB P02768 1/20 0.32
SPHK1 Q9NYA1 2/20 0.32
F2 P00734 1/20 0.31
SMYD2 Q9NRG4 2/20 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
Iodide SCHEMBL9427749 0.98 MC4R (0.32) MC4RMC5RMC3RALBSPHK1
Acetic Acid SCHEMBL9429224 0.91 PAOX (0.35) MC4RMC5RMC3RALBSPHK1
Acetic Acid SCHEMBL9518310 0.87 NAAA (0.42) SPHK1
SCHEMBL9518063 0.82
Iodide SCHEMBL9428896 0.81
SCHEMBL9521241 0.80 SIGMAR1 (0.35) F2
Hydrochloric Acid SCHEMBL9429215 0.79 SIGMAR1 (0.34) SPHK1F2
Hydrochloric Acid SCHEMBL9429210 0.78 EPHX1 (0.37)
SCHEMBL11801131 0.76 F2 (0.42) MC4RMC5RMC3RSPHK1F2
SCHEMBL6255211 0.67 THRA (0.42)

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