SCHEMBL9010976

SCHEMBL9010976

O=C(O)CCc1ccccc1C1CCN(C(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 1/20 0.56
DRD4 P21917 3/20 0.54
TSHR P16473 2/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 1/20 0.49
AKR1C1 Q04828 1/20 0.48
CAPN1 P07384 1/20 0.47
CTSB P07858 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL9011162 0.94 NPC1 (0.54) NPC1RAB9ADRD4TSHRLMNA
SCHEMBL9011149 0.89 NPC1 (0.58) NPC1RAB9ADRD4TSHRLMNA
SCHEMBL9010961 0.82 DRD4 (0.60) NPC1RAB9ADRD4TSHRLMNA
SCHEMBL7804407 0.82 NPC1 (0.53) NPC1RAB9ADRD4TSHRLMNA
SCHEMBL7804397 0.81 NPC1 (0.52) NPC1RAB9ADRD4TSHRLMNA
SCHEMBL9011045 0.81 DRD4 (0.58) NPC1RAB9ADRD4TSHRLMNA
SCHEMBL9010990 0.80 ALDH1A1 (0.51) TSHRLMNAMEN1KMT2AALDH1A1
SCHEMBL9011148 0.80 LMNA (0.62) NPC1RAB9ADRD4TSHRLMNA
SCHEMBL7813945 0.79 PTGDR2 (0.56) NPC1RAB9ADRD4TSHRLMNA
SCHEMBL9259543 0.78 DRD4 (0.61) NPC1RAB9ADRD4TSHRLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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