SCHEMBL5484713

SCHEMBL5484713

O=C(O)N1CCN(CCCC#Cc2ccc(F)c(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.47
SIGMAR1 Q99720 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
EGFR P00533 1/20 0.38
RAB9A P51151 1/20 0.38
PYGL P06737 1/20 0.37
HTR2A P28223 1/20 0.36
ALOX5 P09917 1/20 0.36
HRH1 P35367 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
CACNA1G O43497 1/20 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
SCHEMBL5484273 0.90 SIGMAR1 (0.48) DRD2SIGMAR1PYGLHTR2ADRD4
SCHEMBL5479482 0.84 MEN1 (0.49) DRD2SIGMAR1KMT2AMEN1RAB9A
SCHEMBL2177270 0.81 FAAH (0.41) DRD2KMT2AMEN1HTR2AHRH1
SCHEMBL5483920 0.80 MEN1 (0.42) DRD2SIGMAR1KMT2AMEN1DRD4
SCHEMBL5482967 0.79 SIGMAR1 (0.45) DRD2SIGMAR1KMT2AMEN1DRD4
SCHEMBL10454508 0.73 EGFR (0.58) DRD2KMT2AMEN1EGFRPYGL
SCHEMBL21618404 0.71 FAAH (0.53) SIGMAR1
SCHEMBL2178789 0.71 FAAH (0.41) SIGMAR1HTR2AHRH1DRD4
SCHEMBL5480984 0.70 HRH3 (0.46) SIGMAR1RAB9A
SCHEMBL27675025 0.69 RAB9A (0.56) KMT2AMEN1RAB9A

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