SCHEMBL904841

SCHEMBL904841

N#CC(CCCN1CCC(c2nc3ccccc3o2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.56
KCNA3 P22001 3/20 0.55
CCR1 P32246 2/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL7531162 0.80 LMNA (0.53) LMNA
SCHEMBL7470794 0.79 KCNA3 (0.85) CCR3KCNA3CCR1
SCHEMBL904913 0.78 CCR3 (0.56) CCR3KCNA3CCR1
SCHEMBL904843 0.78 CCR3 (0.56) CCR3KCNA3CCR1LMNA
SCHEMBL9103936 0.75 KCNA3 (0.85) CCR3KCNA3CCR1
SCHEMBL27969428 0.73 BCHE (0.59) LMNA
SCHEMBL904853 0.73 CCR3 (0.55) CCR3KCNA3CCR1
SCHEMBL7526133 0.72 KCNA3 (0.72) CCR3KCNA3CCR1
SCHEMBL904908 0.72 GAA (0.49) LMNA
SCHEMBL904833 0.72 CCR3 (0.57) CCR3KCNA3CCR1

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-2011143444-A2 DIPHENYLBUTYPIPERIDINE AUTOPHAGY INDUCERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-11-17 WO disclosed