SCHEMBL6964102

SCHEMBL6964102

CCOC(=O)C1CCN(CC=C2c3ccccc3CCc3ccccc32)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 6/20 0.53
KMT2A Q03164 4/20 0.53
TSHR P16473 1/20 0.53
MAPT P10636 2/20 0.50
LTA4H P09960 1/20 0.48
MEN1 O00255 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CCR8 P51685 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
Hydrochloric Acid SCHEMBL6956807 0.88 KDM4E (0.53) KDM4EALDH1A1KMT2ATSHRMAPT
SCHEMBL8720453 0.87 ALDH1A1 (0.56) KDM4EALDH1A1KMT2ATSHRMAPT
Oxalic Acid SCHEMBL6969816 0.85 RAB9A (0.54) KDM4EALDH1A1KMT2ATSHRMAPT
SCHEMBL8182524 0.85 HRH1 (0.43) KDM4EALDH1A1KMT2ATSHRSMN1; SMN2
Oxalic Acid SCHEMBL6970867 0.84 KDM4E (0.47) KDM4EALDH1A1KMT2ATSHRMAPT
SCHEMBL6967447 0.83 HRH1 (0.48) ALDH1A1KMT2ATSHRMAPTLTA4H
SCHEMBL6957956 0.83 KDM4E (0.47) KDM4EALDH1A1KMT2AMAPTLTA4H
Hydrochloric Acid SCHEMBL6965368 0.82 HRH1 (0.47) KDM4EALDH1A1KMT2ATSHRMAPT
SCHEMBL8500525 0.79 KDM4E (0.51) KDM4EALDH1A1KMT2ATSHRMAPT
SCHEMBL6969835 0.79 KDM4E (0.51) KDM4EALDH1A1KMT2ATSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934313-B1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK AS (DK) 2003-05-14 EP disclosed
US-6004983-A ANALGESICS; ANTIINFLAMMATORY, ANTIARTHRITIC AND ANTIDIABETIC AGENTS NOVO NORDISK A/S (DE) 1999-12-21 US disclosed
EP-0934313-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-08-11 EP disclosed
WO-1998015549-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-04-16 WO disclosed