SCHEMBL5483920

SCHEMBL5483920

O=C(O)N1CCN(CCCC#Cc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CACNA1G O43497 6/20 0.42
SIGMAR1 Q99720 2/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
ALPL P05186 1/20 0.39
HTR1A P08908 3/20 0.38
HTR7 P34969 2/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
KCNA5 P22460 1/20 0.38

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
SCHEMBL5482967 0.92 SIGMAR1 (0.45) MEN1KMT2ACACNA1GSIGMAR1DRD2
SCHEMBL5479482 0.82 MEN1 (0.49) MEN1KMT2ASIGMAR1DRD2DRD4
SCHEMBL5484273 0.81 SIGMAR1 (0.48) CACNA1GSIGMAR1DRD2DRD4DRD3
SCHEMBL4306833 0.80 FAAH (0.46) MEN1KMT2ACACNA1GALDH1A1
SCHEMBL5484713 0.80 DRD2 (0.47) MEN1KMT2ACACNA1GSIGMAR1DRD2
SCHEMBL5480294 0.75 HPGD (0.61) MEN1KMT2AALDH1A1THRBKCNA5
SCHEMBL4309408 0.73 FAAH (0.45) MEN1KMT2ACACNA1GALDH1A1
SCHEMBL3606690 0.73 UBE2M (0.47) KMT2ASIGMAR1DRD4ALDH1A1
SCHEMBL5487159 0.72 TSHR (0.55) MEN1KMT2ADRD2ALDH1A1THRB
SCHEMBL27655162 0.72 LMNA (0.43) MEN1KMT2ADRD2ALDH1A1

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