SCHEMBL3138338

SCHEMBL3138338

CCn1c(N2CCCC2)c(N(N)c2c(N3CCC(N(C)C)C3)n(CC)n(CC)c2=O)c(=O)n1CC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
MCHR1 Q99705 2/20 0.33
MAP4K4 O95819 1/20 0.32
EGLN2 Q96KS0 1/20 0.31
KCNH2 Q12809 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 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
SCHEMBL3138328 0.86 MAP4K4 (0.35) HRH4HRH3MCHR1MAP4K4KCNH2
SCHEMBL34001 0.81 KCNH2 (0.35) HRH4HRH3MCHR1MAP4K4KCNH2
Hydrochloric Acid SCHEMBL2929557 0.80 KCNH2 (0.35) HRH4HRH3MCHR1MAP4K4KCNH2
SCHEMBL10325917 0.78 KCNH2 (0.33) HRH4HRH3MCHR1MAP4K4KCNH2
SCHEMBL9974728 0.73 KCNH2 (0.34) HRH4HRH3MAP4K4KCNH2PIM1
SCHEMBL18975358 0.65 MAP4K4 (0.37) HRH4HRH3MCHR1MAP4K4KCNH2
Hydrochloric Acid SCHEMBL3932856 0.65 ALDH1A1 (0.31)
SCHEMBL2734107 0.63 HTT (0.33)
SCHEMBL943802 0.62 IKBKB (0.35)
SCHEMBL20798578 0.62 PDGFRB (0.38) HRH4HRH3MCHR1MAP4K4KCNH2

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-2198831-A1 Method for lightening, lightening direct dyeing or oxidation dyeing carried out in the presence of an organic amine and a mineral base; suitable kit L'Oreal (FR) 2010-06-23 EP disclosed