SCHEMBL4405558

SCHEMBL4405558

CC(C)Oc1cccc2[nH]c(OC(=O)NC3CCN(CCN4CCCCCC4)CC3)cc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.39
EPHX1 P07099 1/20 0.38
PARP1 P09874 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CCR8 P51685 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACHE P22303 1/20 0.37
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL4404435 0.93 TERT (0.39) PARP1KDM4EHPGDHTTHSD17B10
SCHEMBL4401901 0.90 HTR4 (0.46) HTR4KDM4EHPGDHTTHSD17B10
SCHEMBL4402091 0.90 LMNA (0.42) HTR4PARP1HTTCCR8HTR1A
SCHEMBL4551166 0.90 LMNA (0.42) HTR4PARP1HTTCCR8HTR1A
SCHEMBL4405631 0.86 SSTR4 (0.40) HTR4HTR1AHTR7
SCHEMBL4404430 0.86 HTR4 (0.37) HTR4EPHX1PARP1HTR1AHTR7
SCHEMBL4409097 0.86 CCR8 (0.44) HPGDCCR8SMN1; SMN2
SCHEMBL914678 0.85 KMT2A (0.45) HTR4PARP1KDM4EHSD17B10HTR1A
SCHEMBL4403841 0.85 CCR8 (0.39) HTR4KDM4ECCR8
SCHEMBL4403442 0.85 ADRB2 (0.40) HTR4PARP1KDM4ESMN1; SMN2

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