SCHEMBL8201882

SCHEMBL8201882

CCOC(=O)[C@@H]1CCCN(CCCN2c3ccccc3C(=O)N(C)c3ccccc32)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
KDM4E B2RXH2 4/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HTR7 P34969 2/20 0.53
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
HTR2A P28223 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 1/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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 SCHEMBL7819243 0.89 ALDH1A1 (0.60) ALDH1A1KDM4EMEN1KMT2AHTR7
SCHEMBL7608996 0.87 SLC6A1 (0.55)
Hydrochloric Acid SCHEMBL8188076 0.86 SLC6A1 (0.54)
SCHEMBL7819324 0.85 ALDH1A1 (0.53) ALDH1A1KDM4EMEN1KMT2AHTR7
SCHEMBL7829122 0.85 MEN1 (0.54) ALDH1A1KDM4EMEN1KMT2AHTR7
SCHEMBL8196728 0.83 SLC6A1 (0.63) ALDH1A1KDM4EHTR7HTR1ADRD2
SCHEMBL8196471 0.83 SLC6A1 (0.63) ALDH1A1KDM4EHTR7HTR1ADRD2
SCHEMBL8195860 0.82 ALDH1A1 (0.59) ALDH1A1KDM4EHTR7HTR1ADRD2
SCHEMBL8187340 0.82 SLC6A1 (0.59) ALDH1A1KDM4EHTR7HTR1ADRD2
SCHEMBL8195399 0.82 SLC6A1 (0.64) ALDH1A1KDM4EHTR7HTR1ADRD2

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