SCHEMBL6924475

SCHEMBL6924475

N[C@@H]1CCN(c2cccc3cnccc23)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCH P24723 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCQ Q04759 1/20 0.46
PRKCD Q05655 1/20 0.46
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PIM1 P11309 6/20 0.43
PIM3 Q86V86 5/20 0.43
PIM2 Q9P1W9 4/20 0.43
ROCK2 O75116 8/20 0.43
ROCK1 Q13464 7/20 0.43
CDC42BPB Q9Y5S2 1/20 0.43
DPP4 P27487 1/20 0.43
PBK Q96KB5 1/20 0.42

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
SCHEMBL6924480 1.00 PRKCB (0.46) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL16111150 0.77 PHGDH (0.45) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14860965 0.77 HRH3 (0.61) ROCK2ROCK1PHGDH
SCHEMBL14146963 0.76 PRKCQ (0.59) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL5802241 0.76 KDM4E (0.48) CYP2C19PHGDH
SCHEMBL13354904 0.75 ROCK2 (0.50) PIM1PIM3PIM2ROCK2ROCK1
SCHEMBL14216367 0.75 ROCK2 (0.50) PIM1PIM3PIM2ROCK2ROCK1
SCHEMBL14216365 0.75 ROCK2 (0.50) PIM1PIM3PIM2ROCK2ROCK1
SCHEMBL14193581 0.75 ROCK2 (0.57) ROCK2ROCK1CCR2HTT
SCHEMBL14193590 0.75 ROCK2 (0.57) ROCK2ROCK1CCR2HTT

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
WO-2004024710-A1 UREA COMPOUNDS ACTIVE AS VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-03-25 WO disclosed