SCHEMBL4396457

SCHEMBL4396457

CCOc1ccc(-c2cccc3[nH]c(OC(=O)NC4CCN(CCN5CCCCCC5)CC4)cc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
ALDH1A1 P00352 4/20 0.40
TP53 P04637 4/20 0.40
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 3/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
FAAH O00519 3/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR7 P34969 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 1/20 0.38
PDGFRB P09619 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
SCHEMBL4410349 1.00 HRH3 (0.42) HRH3ALDH1A1TP53KDM4ENPSR1
SCHEMBL4411339 0.93 HTR7 (0.38) ALDH1A1TP53KDM4ENPSR1KMT2A
SCHEMBL4396992 0.92 KMT2A (0.41) KDM4EFAAHKMT2AKCNH2
SCHEMBL4396410 0.90 L3MBTL1 (0.40) HRH3ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL4396337 0.89 HTR7 (0.43) ALDH1A1TP53KDM4ELMNAFAAH
SCHEMBL4405673 0.88 CHRM3 (0.42) HRH3KCNH2DRD2
SCHEMBL4394199 0.88 CHRM3 (0.41) FAAHHTR7HTR1A
SCHEMBL913726 0.87 ALDH1A1 (0.45) HRH3ALDH1A1TP53KDM4ENPSR1
SCHEMBL916260 0.87 ALDH1A1 (0.45) HRH3ALDH1A1TP53KDM4ENPSR1
SCHEMBL4401571 0.86 HPGDS (0.39) HTR7HTR1A

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