SCHEMBL8196496

SCHEMBL8196496

CCOC(=O)[C@@H]1CCCN(CCC=C2c3ccccc3CCc3ccccc32)C1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
KDM4E B2RXH2 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
ATM Q13315 1/20 0.53
MAPK1 P28482 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPT P10636 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HTR7 P34969 2/20 0.51
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
HTR2A P28223 1/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL7811693 0.92 ALDH1A1 (0.62) ALDH1A1KDM4ESMN1; SMN2L3MBTL1ATM
SCHEMBL8720453 0.90 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2L3MBTL1ATM
SCHEMBL7815557 0.89 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2L3MBTL1ATM
SCHEMBL8859044 0.89 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2L3MBTL1ATM
SCHEMBL7813214 0.88 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2L3MBTL1ATM
SCHEMBL9086027 0.88 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2L3MBTL1ATM
SCHEMBL9084715 0.87 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2L3MBTL1ATM
SCHEMBL8198689 0.87 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2L3MBTL1ATM
Hydrochloric Acid SCHEMBL8196439 0.87 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2L3MBTL1ATM
Hydrochloric Acid SCHEMBL6956807 0.87 KDM4E (0.53) ALDH1A1KDM4EL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0738262-B1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK AS (DK) 2000-04-19 EP disclosed
US-6043239-A N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF IN WHICH A SUBSTITUTED ALKYL CHAIN FORMS PART OF THE N-SUBSTITUENT; TREATMENT OF PAINFUL, HYPERALGESIC AND/OR INFLAMMATORY CONDITIONS NOVO NORDISK A/S (DK) 2000-03-28 US disclosed
EP-0869777-A1 NOVEL METHOD NOVO NORDISK A/S (DK) 1998-10-14 EP disclosed
US-5668129-A ANTIINFLAMMATORY AGENTS, ANALGESICS OR ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 1997-09-16 US disclosed
WO-1997022338-A1 NOVEL METHOD NOVO NORDISK A/S (DK) 1997-06-26 WO disclosed
US-5595989-A ANTIINFLAMMATORY AGENTS AND ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 1997-01-21 US disclosed
EP-0738262-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-23 EP disclosed
WO-1995018793-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1995-07-13 WO disclosed