SCHEMBL7811215

SCHEMBL7811215

O=C(O)C(COc1ccccc1)C1=CCN(C(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
KMT2A Q03164 2/20 0.41
KCNA5 P22460 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DRD1 P21728 1/20 0.40
PTGER2 P43116 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
MEN1 O00255 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
DRD3 P35462 2/20 0.39
DRD2 P14416 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
GPR183 P32249 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 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
SCHEMBL7810158 0.92 KCNA5 (0.47) NPC1KMT2AKCNA5GAAHPGD
SCHEMBL7804175 0.86 NPC1 (0.46) NPC1KMT2AMAPTGAAHPGD
SCHEMBL7814002 0.80 KMT2A (0.40) NPC1KMT2AKCNA5MAPTGAA
SCHEMBL7813359 0.79 ALDH1A1 (0.47) KMT2APTGER2MEN1ALDH1A1CYP2C9
SCHEMBL7810086 0.76 NPC1 (0.44) NPC1KMT2AKCNA5MAPTGAA
SCHEMBL7804419 0.75 NPC1 (0.51) NPC1KMT2AKCNA5HPGDMEN1
SCHEMBL7813958 0.73 MME (0.47) NPC1KMT2AKCNA5HPGDDRD1
SCHEMBL7811667 0.73 KMT2A (0.47) NPC1KMT2AKCNA5MAPTGAA
SCHEMBL7817583 0.72 NPC1 (0.44) NPC1KMT2AMAPTGAAHPGD
SCHEMBL7811462 0.70 KCNA5 (0.43) NPC1KMT2AKCNA5GAAHPGD

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-0607536-B1 Arylamide derivatives SS PHARMACEUTICAL CO (JP) 2001-01-24 EP disclosed
US-5532371-A SIDE EFFECT REDUCTION SS PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 US disclosed
US-5411972-A Arylamide derivatives for treating hyperlipemia SS PHARMACEUTICAL CO., LTD. (JP) 1995-05-02 US disclosed
EP-0607536-A1 Arylamide derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1994-07-27 EP disclosed