SCHEMBL5482967

SCHEMBL5482967

O=C(O)N1CCN(CCCC#Cc2cc(Cl)ccc2Cl)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CACNA1G O43497 6/20 0.41
DRD2 P14416 2/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
ALPL P05186 1/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL5483920 0.92 MEN1 (0.42) SIGMAR1MEN1KMT2ACACNA1GDRD2
SCHEMBL5484273 0.82 SIGMAR1 (0.48) SIGMAR1CACNA1GDRD2DRD4DRD3
SCHEMBL3606690 0.81 UBE2M (0.47) SIGMAR1KMT2ADRD4LMNAALDH1A1
SCHEMBL5479482 0.81 MEN1 (0.49) SIGMAR1MEN1KMT2ADRD2DRD4
SCHEMBL4309408 0.81 FAAH (0.45) MEN1KMT2ACACNA1GTSHRLMNA
SCHEMBL5484713 0.79 DRD2 (0.47) SIGMAR1MEN1KMT2ACACNA1GDRD2
SCHEMBL2982101 0.75 DCUN1D1 (0.42) CACNA1G
SCHEMBL5480294 0.74 HPGD (0.61) MEN1KMT2ATSHRLMNAALDH1A1
SCHEMBL5487159 0.74 TSHR (0.55) MEN1KMT2ADRD2TSHRALDH1A1
SCHEMBL27655162 0.74 LMNA (0.43) MEN1KMT2ADRD2TSHRLMNA

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