SCHEMBL5277372

SCHEMBL5277372

CC(C)(C)C1(c2ccccc2)N=NN=N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
GRIN1 Q05586 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
ALDH1A1 P00352 2/20 0.33
OPRK1 P41145 2/20 0.33
OPRL1 P41146 2/20 0.33
POLB P06746 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
ATM Q13315 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
PAX8 Q06710 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
SCHEMBL4593434 0.76 TSHR (0.35)
SCHEMBL5275595 0.76 MAOB (0.39) OPRM1ALDH1A1OPRL1
SCHEMBL5280778 0.76 TSHR (0.35)
SCHEMBL9205048 0.74 KCNN4 (0.33) ALDH1A1MAPK1
SCHEMBL5286756 0.73 MAOB (0.32) OPRM1ALDH1A1OPRL1
SCHEMBL5277316 0.73 TSHR (0.32)
SCHEMBL5275494 0.71 OPRM1 (0.32) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL5276695 0.70 ALDH1A1 (0.38) OPRM1ALDH1A1OPRK1OPRL1LMNA
SCHEMBL5274311 0.69 OPRM1 (0.33) OPRM1OPRK1OPRL1LMNAKMT2A
Bromide SCHEMBL29801969 0.67 OPRM1 (0.32) OPRM1OPRK1OPRL1LMNAKMT2A

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-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed