SCHEMBL5486911

SCHEMBL5486911

O=C(O)N1CCN(CCCc2cc(-c3ccc(Cl)cc3)on2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
KMT2A Q03164 1/20 0.48
CXCR1 P25024 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 4/20 0.46
POLB P06746 3/20 0.46
HTT P42858 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CDH1 P12830 1/20 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
SCHEMBL5482230 0.93 NOTUM (0.52) NOTUMRAB9ANPC1KMT2ACXCR1
SCHEMBL2175900 0.81 FAAH (0.48) NOTUMRAB9ANPC1KMT2ACXCR1
SCHEMBL5477728 0.81 DRD2 (0.54) NOTUMCXCR1SMN1; SMN2POLBHTT
SCHEMBL3605744 0.80 HIF1A (0.44) NOTUMRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3605749 0.80 NOTUM (0.44) NOTUMRAB9ANPC1CXCR1SMN1; SMN2
SCHEMBL5489773 0.78 SIGMAR1 (0.53) KMT2A
SCHEMBL5709441 0.77 MAPT (0.45) NOTUMRAB9ANPC1CXCR1SMN1; SMN2
SCHEMBL5484406 0.76 NOTUM (0.51) NOTUMRAB9ANPC1KMT2ACXCR1
SCHEMBL20507192 0.75 NOTUM (0.63) NOTUMRAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL2837084 0.75 NOTUM (0.56) NOTUMRAB9ANPC1KMT2ATP53

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-1720848-B1 DERIVATIVES OF ALKYLPIPERAZINE- AND ALKYLHOMOPIPERAZINE- CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2007-12-05 EP claimed
EP-1720848-B1 DERIVATIVES OF ALKYLPIPERAZINE- AND ALKYLHOMOPIPERAZINE- CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2007-12-05 EP disclosed
EP-1720848-A1 DERIVATIVES OF ALKYLPIPERAZINE- AND ALKYLHOMOPIPERAZINE- CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS Sanofi-Aventis (FR) 2006-11-15 EP disclosed
WO-2005090322-A1 DERIVATIVES OF ALKYLPIPERAZINE- AND ALKYLHOMOPIPERAZINE- CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2005-09-29 WO disclosed