SCHEMBL3367646

SCHEMBL3367646

CCCCC[CH]N(CCCC)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.44
SOAT1 P35610 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
CNR1 P21554 1/20 0.42
KDM4E B2RXH2 2/20 0.41
EP300 Q09472 1/20 0.37
TERT O14746 3/20 0.36
MAPT P10636 2/20 0.36
BLM P54132 2/20 0.36
HSD17B10 Q99714 2/20 0.36
FABP4 P15090 2/20 0.36
PTPN1 P18031 2/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36

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
SCHEMBL1415769 0.92 FAAH (0.44) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL1416602 0.86 FAAH (0.46) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL7879076 0.78 CA1 (0.39) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL1416229 0.78 CA12 (0.32) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL1415955 0.76 FAAH (0.47) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL7686633 0.76 ADH1C (0.40) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL11311604 0.74 ADH1C (0.43) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL8969203 0.74 ZDHHC20 (0.44) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL28001802 0.73 ZDHHC20 (0.46) FAAHSOAT1CYP1A2CYP2C19KMT2A
SCHEMBL1416401 0.72 FAAH (0.43) FAAHSOAT1CYP1A2CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556682-B8 IP3 PROTEIN BINDING ASSAY DISCOVERX CORP (US) 2010-02-17 EP disclosed
EP-1556682-B1 IP sb 3 /sb PROTEIN BINDING ASSAY DISCOVERX CORP (US) 2009-10-07 EP disclosed
EP-1556682-A4 IP sb 3 /sb PROTEIN BINDING ASSAY DISCOVERX INC (US) 2007-06-06 EP disclosed
EP-1556682-A2 IP sb 3 /sb PROTEIN BINDING ASSAY Discoverx, Inc. (US) 2005-07-27 EP disclosed
US-20040106158-A1 IP3 protein binding assay DISCOVERX, INC. 2004-06-03 US disclosed
WO-2004038369-A2 IP3 PROTEIN BINDING ASSAY DISCOVERX, INC. (US) 2004-05-06 WO disclosed