SCHEMBL5479482

SCHEMBL5479482

O=C(O)N1CCN(CCCC#Cc2cccc(Cl)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR1A P08908 6/20 0.45
HTR7 P34969 5/20 0.45
SIGMAR1 Q99720 1/20 0.44
KCNH2 Q12809 1/20 0.44
DRD2 P14416 4/20 0.43
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
CYP3A4 P08684 1/20 0.41
GRM5 P41594 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
HTR2A P28223 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL27675025 0.85 RAB9A (0.56) MEN1KMT2AHTR1AHTR7CYP3A4
SCHEMBL5484273 0.84 SIGMAR1 (0.48) SIGMAR1DRD2DRD4DRD3MAPK1
SCHEMBL5484713 0.84 DRD2 (0.47) MEN1KMT2ASIGMAR1DRD2DRD4
SCHEMBL5710776 0.82 GRM5 (0.59) KMT2AKCNH2CYP3A4GRM5LMNA
SCHEMBL5483920 0.82 MEN1 (0.42) MEN1KMT2AHTR1AHTR7SIGMAR1
SCHEMBL5710858 0.82 GRM5 (0.58) KMT2AKCNH2CYP3A4GRM5LMNA
SCHEMBL5482967 0.81 SIGMAR1 (0.45) MEN1KMT2ASIGMAR1DRD2DRD4
SCHEMBL4297649 0.81 GRM5 (0.47) MEN1KMT2AHTR1AKCNH2DRD4
SCHEMBL5486473 0.75 MEN1 (0.62) MEN1KMT2AHTR1AHTR7SIGMAR1
SCHEMBL5480249 0.75 MEN1 (0.61) MEN1KMT2AHTR1AHTR7SIGMAR1

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