SCHEMBL5489773

SCHEMBL5489773

O=C(O)N1CCN(CCCc2ccc(-c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HRH3 Q9Y5N1 2/20 0.50
HRH2 P25021 1/20 0.50
HRH1 P35367 1/20 0.50
FAAH O00519 1/20 0.50
MCHR1 Q99705 1/20 0.48
CACNA1G O43497 1/20 0.48
THRB P10828 1/20 0.48
DRD2 P14416 1/20 0.48

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
SCHEMBL5481359 0.92 SIGMAR1 (0.58) SIGMAR1MEN1KMT2AHRH3HRH1
SCHEMBL5480169 0.89 SIGMAR1 (0.62) SIGMAR1HRH1FAAH
SCHEMBL5483514 0.87 MEN1 (0.60) SIGMAR1MEN1KMT2AFAAHMCHR1
SCHEMBL5490036 0.87 MEN1 (0.55) SIGMAR1MEN1KMT2AHRH2HRH1
SCHEMBL27564901 0.82 SIGMAR1 (0.73) SIGMAR1MEN1KMT2AFAAH
SCHEMBL10502864 0.80 SIGMAR1 (0.66) SIGMAR1MEN1KMT2AHRH3HRH1
SCHEMBL5484678 0.80 MEN1 (0.61) SIGMAR1MEN1KMT2AHRH3FAAH
SCHEMBL2931705 0.79 AKR1C3 (0.65) SIGMAR1MEN1KMT2AHRH3FAAH
SCHEMBL5480249 0.78 MEN1 (0.61) SIGMAR1MEN1KMT2AFAAH
SCHEMBL5486911 0.78 NOTUM (0.50) KMT2A

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 2 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