SCHEMBL3836071

SCHEMBL3836071

[CH2]NCCC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.45
EPHX1 P07099 1/20 0.44
CYP1A2 P05177 1/20 0.42
KDM1A O60341 3/20 0.38
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
HPGD P15428 1/20 0.38
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
CA2 P00918 1/20 0.34
KDM5A P29375 2/20 0.33
PHF8 Q9UPP1 2/20 0.33
KDM2A Q9Y2K7 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM4A O75164 1/20 0.33

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
SCHEMBL6798941 0.97
SCHEMBL4587422 0.85 SIGMAR1 (0.52) SIGMAR1EPHX1CYP1A2KDM1AMAOA
SCHEMBL716430 0.78 SIGMAR1 (0.48) SIGMAR1EPHX1CYP1A2KDM1AMAOA
SCHEMBL4489613 0.75 KDM1A (0.41) KDM1AMAOAMAOB
SCHEMBL4468595 0.75 SIGMAR1 (0.42) SIGMAR1EPHX1CYP1A2KDM1AMAOA
SCHEMBL629800 0.74 SIGMAR1 (0.68) SIGMAR1EPHX1CYP1A2KDM1AMAOA
SCHEMBL22520986 0.74 SIGMAR1 (0.68) SIGMAR1EPHX1CYP1A2KDM1AMAOA
SCHEMBL22838527 0.74 SIGMAR1 (0.68) SIGMAR1EPHX1CYP1A2KDM1AMAOA
SCHEMBL22341229 0.74 SIGMAR1 (0.68) SIGMAR1EPHX1CYP1A2KDM1AMAOA
SCHEMBL6061501 0.74 SIGMAR1 (0.45) SIGMAR1EPHX1CYP1A2KDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6768024-B1 CONTROLLING OBESITY, SEXUAL DYSFUNCTION OR INFLAMMATION LION BIOSCIENCE AG (DE) 2004-07-27 US claimed
WO-2002012166-A2 TRIAMINE DERIVATIVE MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME LION BIOSCIENCE AG (DE) 2002-02-14 WO claimed
EP-2101759-A1 METHODS OF USING MEK INHIBITORS Exelixis, Inc. (US) 2009-09-23 EP disclosed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO disclosed
WO-2008076415-A1 METHODS OF USING MEK INHIBITORS EXELIXIS, INC. (US) 2008-06-26 WO disclosed
US-6768024-B1 CONTROLLING OBESITY, SEXUAL DYSFUNCTION OR INFLAMMATION LION BIOSCIENCE AG (DE) 2004-07-27 US disclosed
WO-2002012166-A2 TRIAMINE DERIVATIVE MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME LION BIOSCIENCE AG (DE) 2002-02-14 WO disclosed