SCHEMBL8194403

SCHEMBL8194403

COc1ccc2c(c1)Nc1ccccc1CC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
MAPT P10636 3/20 0.57
GAA P10253 2/20 0.57
KDM4E B2RXH2 2/20 0.57
NOX1 Q9Y5S8 2/20 0.53
HTR5A P47898 2/20 0.50
DRD1 P21728 4/20 0.49
DRD5 P21918 4/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.47
DRD2 P14416 3/20 0.46
DRD3 P35462 3/20 0.46
DRD4 P21917 2/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL6024361 0.90 NOX1 (0.53) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL5738879 0.80 MAPT (0.48) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL8994250 0.80 PDE3B (0.59) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL30228538 0.79 MAPT (0.53) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL703728 0.79 MAOB (0.58) MAOAMAOBPDE3BPDE3A
SCHEMBL11534726 0.79 MAPT (0.53) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL29724095 0.79 MAOB (0.58) MAOAMAOBPDE3BPDE3A
SCHEMBL407439 0.77 NPC1 (0.70) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL6969939 0.77 MAPT (0.62) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL30105853 0.77 MAPT (0.62) KMT2AMEN1MAPTGAAKDM4E

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 10 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
EP-0108715-A1 Dibenzazepine carboxamides CIBA-GEIGY AG (CH) 1984-05-16 EP disclosed
US-3968217-A ANTIDEPRESSANT A. H. ROBINS COMPANY, INCORPORATED (US) 1976-07-06 US disclosed