SCHEMBL4402091

SCHEMBL4402091

CC(C)COc1cccc2[nH]c(OC(=O)NC3CCN(CCN4CCCCCC4)CC3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
PARP1 P09874 1/20 0.38
ADRB3 P13945 2/20 0.38
HTR4 Q13639 1/20 0.38
HTR1A P08908 5/20 0.38
ABCB11 O95342 1/20 0.38
ADRA2A P08913 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
HTR7 P34969 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
THRB P10828 1/20 0.37
POLB P06746 1/20 0.36
CCR8 P51685 1/20 0.36

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
SCHEMBL4551166 1.00 LMNA (0.42) LMNAPARP1ADRB3HTR4HTR1A
SCHEMBL4409085 0.93 LMNA (0.40) LMNAPARP1ADRB3HTR1AABCB11
SCHEMBL4405571 0.93 KDM4E (0.39) LMNAPARP1ADRB3HTR1AHTR7
SCHEMBL4396585 0.93 LMNA (0.40) LMNAPARP1ADRB3HTR1AABCB11
SCHEMBL4404560 0.92 PARP1 (0.38) LMNAPARP1ADRB3HTR4HTR1A
SCHEMBL4405829 0.92 PARP1 (0.37) LMNAPARP1ADRB3HTR1AABCB11
SCHEMBL4406787 0.92 PARP1 (0.37) LMNAPARP1ADRB3HTR1AABCB11
SCHEMBL4406828 0.91 PARP1 (0.37) LMNAPARP1ADRB3HTR1AABCB11
SCHEMBL4405878 0.90 LMNA (0.40) LMNAPARP1ADRB3HTR1AABCB11
SCHEMBL4405558 0.90 HTR4 (0.39) PARP1HTR4HTR1AHTR7HTT

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-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP claimed