SCHEMBL5730179

SCHEMBL5730179

CCOC(=O)C1CCc2ccc(N)c(N)c2O1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.52
CYP4A11 Q02928 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.40
LGMN Q99538 2/20 0.39
TDP1 Q9NUW8 3/20 0.38
CTDSP1 Q9GZU7 1/20 0.37
LTB4R Q15722 5/20 0.36
LTB4R2 Q9NPC1 4/20 0.36
HSD11B1 P28845 1/20 0.36
TSHR P16473 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL8314473 0.91 CYP4F2 (0.56) CYP4F2CYP4A11L3MBTL1LGMNTDP1
SCHEMBL14046828 0.85 CYP4F2 (0.52) CYP4F2CYP4A11L3MBTL1LGMNTDP1
SCHEMBL30982179 0.85 CYP4F2 (0.52) CYP4F2CYP4A11L3MBTL1LGMNTDP1
SCHEMBL4246764 0.85 CYP4F2 (0.52) CYP4F2CYP4A11L3MBTL1LGMNTDP1
SCHEMBL10512434 0.80 CYP4F2 (0.55) CYP4F2CYP4A11L3MBTL1TDP1CTDSP1
SCHEMBL10510563 0.78 NFKB1 (0.59) CYP4F2CYP4A11NFKB1NFKB2RELA
SCHEMBL10635508 0.78 CYP4F2 (0.50) CYP4F2CYP4A11L3MBTL1TDP1CTDSP1
SCHEMBL6631393 0.77 CYP4F2 (0.61) CYP4F2CYP4A11LGMNHSD11B1NFKB1
SCHEMBL8587477 0.77 LTB4R (0.50) CYP4F2CYP4A11LTB4RLTB4R2
SCHEMBL7314503 0.76 TDP1 (0.56) CYP4F2CYP4A11L3MBTL1TDP1CTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409490-B1 2-(AMINOMETHYL)-TETRAHYDRO-9-OXA-1,3-DIAZA-CYCLOPENTA A|NAPHTHALENYL DERIVATIVES WITH ANTIPSYCHOTIC ACTIVITY WYETH CORP (US) 2006-09-06 EP disclosed
EP-1421086-B1 2-(AMINOMETHYL)-TETRAHYDRO-9-OXA-1,3-DIAZA-CYCLOPENTA a|NAPHTHALENYL DERIVATIVES WITH ANTIPSYCHOTIC ACTIVITY WYETH CORP (US) 2006-08-30 EP disclosed
EP-1421086-A1 2-(AMINOMETHYL)-TETRAHYDRO-9-OXA-1,3-DIAZA-CYCLOPENTA a]NAPHTHALENYL DERIVATIVES WITH ANTIPSYCHOTIC ACTIVITY Wyeth (US) 2004-05-26 EP disclosed
EP-1409490-A1 2-(AMINOMETHYL)-TETRAHYDRO-9-OXA-1,3-DIAZA-CYCLOPENTA A]NAPHTHALENYL DERIVATIVES WITH ANTIPSYCHOTIC ACTIVITY Wyeth (US) 2004-04-21 EP disclosed
US-6541501-B2 Dopamine autoreceptor agonists WYETH 2003-04-01 US disclosed
US-6541502-B1 Treatment of disorders associated with dopamine dysregulation such as schizophrenia WYETH 2003-04-01 US disclosed
US-20030037701-A1 2-(AMINOMETHYL)-TETRAHYDRO-9-OXA-1,3-DIAZA-CYCLOPENTA[A]-NAPHTHALENYL DERIVATIVES WITH ANTIPSYCHOTIC ACTIVITY WYETH 2003-02-27 US disclosed
WO-2003008420-A1 2-(AMINOMETHYL)-TETRAHYDRO-9-OXA-1,3-DIAZA-CYCLOPENTA[A]NAPHTHALENYL DERIVATIVES WITH ANTIPSYCHOTIC ACTIVITY WYETH (US) 2003-01-30 WO disclosed
WO-2003008419-A1 2-(AMINOMETHYL)-TETRAHYDRO-9-OXA-1,3-DIAZA-CYCLOPENTA[a]NAPHTHALENYL DERIVATIVES WITH ANTIPSYCHOTIC ACTIVITY WYETH (US) 2003-01-30 WO disclosed