SCHEMBL4404435

SCHEMBL4404435

CC(C)Oc1cccc2[nH]c(OC(=O)NC3CCN(CCN4CCC(O)CC4)CC3)cc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.39
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
HTR1A P08908 2/20 0.37
HTR7 P34969 1/20 0.37
MCHR1 Q99705 1/20 0.36
FAAH O00519 3/20 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
SCHEMBL4405558 0.93 HTR4 (0.39) PARP1KDM4EHPGDHTTHSD17B10
SCHEMBL4396585 0.90 LMNA (0.40) PARP1HTR1AHTR7
Hydrochloric Acid SCHEMBL4403744 0.87 PARP1 (0.42) PARP1HTR1AHTR7
SCHEMBL4409085 0.87 LMNA (0.40) PARP1HTR1AHTR7
Hydrochloric Acid SCHEMBL4401804 0.87 PARP1 (0.40) PARP1HTR1AHTR7
SCHEMBL4400766 0.86 TERT (0.37) TERTPARP1HTR1AHTR7FAAH
SCHEMBL913081 0.85 KMT2A (0.43) PARP1HTR1AHTR7
SCHEMBL4400741 0.85 L3MBTL1 (0.39) TERTKDM4ERXFP1FAAH
SCHEMBL4394218 0.84 CCR8 (0.41) HTR1AHTR7MCHR1FAAH
SCHEMBL4405338 0.84 TERT (0.36) TERTPARP1HTR1AHTR7FAAH

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