SCHEMBL7817569

SCHEMBL7817569

O=C(O)C(COc1ccccc1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
LMNA P02545 2/20 0.56
NPC1 O15118 3/20 0.56
HPGD P15428 1/20 0.55
AKR1C1 Q04828 1/20 0.54
DRD4 P21917 2/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
RAB9A P51151 1/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL7817551 0.89 KCNA5 (0.58) LMNANPC1MEN1KMT2AALDH1A1
SCHEMBL7811430 0.88 TSHR (0.54) TSHRLMNANPC1HPGDAKR1C1
SCHEMBL7804419 0.86 NPC1 (0.51) NPC1HPGDMEN1KMT2AALDH1A1
SCHEMBL7810095 0.85 TSHR (0.53) TSHRLMNANPC1HPGDAKR1C1
SCHEMBL9011146 0.83 NPC1 (0.65) TSHRLMNANPC1HPGDAKR1C1
SCHEMBL7813987 0.81 ALDH1A1 (0.55) LMNAMEN1POLBKMT2AALDH1A1
SCHEMBL9010991 0.81 NPC1 (0.62) TSHRLMNANPC1HPGDAKR1C1
SCHEMBL7814140 0.81 NPC1 (0.50) TSHRLMNANPC1HPGDAKR1C1
SCHEMBL7804403 0.81 DRD4 (0.56) TSHRLMNANPC1HPGDAKR1C1
SCHEMBL4310722 0.79 TSHR (0.84) TSHRLMNANPC1HPGDAKR1C1

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