SCHEMBL7846654

SCHEMBL7846654

CCOC(=O)C(=CN(c1ccc(CN2CCOCC2)cc1)C1CCN(C)CC1)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
HRH3 Q9Y5N1 2/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
STAT3 P40763 1/20 0.44
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPY2R P49146 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
OPRM1 P35372 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
NPC1 O15118 2/20 0.39

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
SCHEMBL7938828 0.94 KDM4E (0.48) KDM4EHRH3SMN1; SMN2RAB9ALMNA
SCHEMBL7938381 0.93 KDM4E (0.47) KDM4EHRH3SMN1; SMN2RAB9ALMNA
SCHEMBL7937660 0.90 KDM4E (0.44) KDM4EHRH3SMN1; SMN2RAB9ALMNA
SCHEMBL7936265 0.89 KDM4E (0.44) KDM4EHRH3SMN1; SMN2RAB9ALMNA
SCHEMBL6810321 0.82 SMN1; SMN2 (0.49) KDM4EHRH3SMN1; SMN2RAB9ALMNA
SCHEMBL7844242 0.71 MEN1 (0.40) RAB9ALMNAMAPTMAPK1OPRM1
SCHEMBL6783042 0.70 LMNA (0.40) KDM4ESMN1; SMN2RAB9ALMNAMAPT
SCHEMBL27469582 0.70 GPR119 (0.47) HRH3SMN1; SMN2HIF1AEPAS1KMT2A
SCHEMBL17452233 0.69 LIPE (0.60) HRH3SMN1; SMN2RAB9ALMNAMAPT
SCHEMBL10397057 0.69 SMN1; SMN2 (0.80) KDM4EHRH3SMN1; SMN2RAB9ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140850-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-10-10 EP disclosed
US-6248739-B1 DNA POLYMERASE INHIBITORS EFFECTIVE AGAINST HERPESVIRUSES PHARMACIA & UPJOHN COMPANY 2001-06-19 US disclosed
WO-2000040561-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 WO disclosed