SCHEMBL2840972

SCHEMBL2840972

O=C(O)NCCCCN1CCc2ccccc2C1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.72
DRD2 P14416 3/20 0.72
HTR7 P34969 4/20 0.63
HDAC3 O15379 2/20 0.62
HDAC1 Q13547 2/20 0.62
HDAC8 Q9BY41 2/20 0.62
NCOR2 Q9Y618 2/20 0.62
HDAC2 Q92769 1/20 0.62
HTR1A P08908 2/20 0.61
HTR2A P28223 1/20 0.61
SLC6A4 P31645 1/20 0.61
HRH1 P35367 1/20 0.61
HTR2B P41595 1/20 0.61
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
MAPT P10636 1/20 0.60
ACKR3 P25106 1/20 0.60
PRMT5 O14744 2/20 0.58

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
SCHEMBL20502177 0.96 DRD2 (0.66) DRD3DRD2HTR7HDAC3HDAC1
SCHEMBL27246707 0.90 HDAC3 (0.61) DRD3DRD2HTR7HDAC3HDAC1
SCHEMBL14722227 0.88 DRD2 (0.86) DRD3DRD2HTR7HDAC3HDAC1
SCHEMBL7843315 0.84 DRD3 (0.63) DRD3DRD2HTR7HDAC3HDAC1
SCHEMBL15835899 0.84 DRD2 (0.80) DRD3DRD2HTR7HTR1AHTR2A
SCHEMBL13135921 0.83 CYP2D6 (0.63) DRD3DRD2HTR7HDAC3HDAC1
SCHEMBL29914813 0.83 DRD2 (1.00) DRD3DRD2HDAC3HDAC1HDAC8
SCHEMBL4294293 0.83 DRD2 (1.00) DRD3DRD2HDAC3HDAC1HDAC8
SCHEMBL4294300 0.83 DRD2 (1.00) DRD3DRD2HDAC3HDAC1HDAC8
SCHEMBL19957570 0.82 ALDH1A1 (0.71) DRD3DRD2HTR7HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2251324-A1 HETEROARYL-ALKYLCARBAMATE COMPOUNDS AND THEIR USE AS INHIBITORS OF THE FAAH ENZYME Sanofi-Aventis (FR) 2010-11-17 EP disclosed
EP-1720829-B1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2009-10-14 EP disclosed
EP-1720829-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS Sanofi-Aventis (FR) 2006-11-15 EP disclosed
WO-2005090292-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2005-09-29 WO disclosed