SCHEMBL7817551

SCHEMBL7817551

O=C(O)C(COc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.58
MAOB P27338 1/20 0.54
NPC1 O15118 1/20 0.53
DRD3 P35462 3/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 3/20 0.51
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
USP2 O75604 1/20 0.49
LMNA P02545 3/20 0.49
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.49
DRD2 P14416 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 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
SCHEMBL7804419 0.91 NPC1 (0.51) KCNA5MAOBNPC1DRD3MEN1
SCHEMBL7817569 0.89 TSHR (0.56) KCNA5NPC1DRD3MEN1KMT2A
SCHEMBL7813987 0.82 ALDH1A1 (0.55) MEN1KMT2AALDH1A1USP2LMNA
SCHEMBL7811430 0.77 TSHR (0.54) KCNA5NPC1DRD3MEN1KMT2A
SCHEMBL7804532 0.76 KCNA5 (0.52) KCNA5NPC1DRD3MEN1KMT2A
SCHEMBL7804380 0.76 KCNA5 (0.52) KCNA5NPC1MEN1KMT2AALDH1A1
SCHEMBL9557309 0.76 PKM (0.53) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL7129676 0.73 HPGD (0.79) MAOBMEN1KMT2AALDH1A1USP2
SCHEMBL252026 0.73 HPGD (0.79) MAOBMEN1KMT2AALDH1A1USP2
SCHEMBL7810095 0.73 TSHR (0.53) KCNA5NPC1DRD3MEN1KMT2A

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