SCHEMBL5233265

SCHEMBL5233265

O=C(O)N1CCCN(c2ccc(Br)cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.61
PANK3 Q9H999 1/20 0.52
KDM4E B2RXH2 5/20 0.46
POLB P06746 2/20 0.46
PKM P14618 1/20 0.44
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
ME2 P23368 2/20 0.43
ME1 P48163 2/20 0.43
ME3 Q16798 2/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42

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
SCHEMBL3208482 0.94 AKR1C3 (0.68) AKR1C3PANK3KDM4EPPARGPPARD
SCHEMBL15205683 0.87 AKR1C3 (0.60) AKR1C3PANK3KDM4EPOLBPKM
SCHEMBL5238015 0.84 AKR1C3 (0.56) AKR1C3PANK3KDM4EPPARGPPARD
SCHEMBL30020512 0.83 GRIN2D (0.56) AKR1C3PANK3GRIN2DGRIN3BGRIN1
SCHEMBL742515 0.83 GRIN2D (0.56) AKR1C3PANK3GRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL6997406 0.81 GRIN2D (0.54) AKR1C3PANK3GRIN2DGRIN3BGRIN1
SCHEMBL594028 0.81 CKS1B (0.59) AKR1C3PANK3KDM4EPOLBHPGD
SCHEMBL1433065 0.81 AKR1C3 (0.66) AKR1C3PANK3KDM4EPPARGPPARD
SCHEMBL30434376 0.81 AKR1C3 (0.66) AKR1C3PANK3KDM4EPPARGPPARD
SCHEMBL3075325 0.80 CNR2 (0.58) PANK3CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701946-B1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI AVENTIS (FR) 2007-12-19 EP disclosed
EP-1701946-A2 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME Sanofi-Aventis (FR) 2006-09-20 EP disclosed
WO-2005070910-A2 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI-AVENTIS (FR) 2005-08-04 WO disclosed