SCHEMBL7810022

SCHEMBL7810022

O=C(O)CCOc1ccc(C2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 1/20 0.54
DRD4 P21917 3/20 0.52
S1PR1 P21453 1/20 0.52
PARP14 Q460N5 1/20 0.51
PARP10 Q53GL7 1/20 0.51
HSD11B1 P28845 1/20 0.50
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.47
HRH3 Q9Y5N1 3/20 0.47
AKR1C1 Q04828 1/20 0.46
MAPT P10636 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL7817809 0.95 S1PR1 (0.53) NPC1RAB9ADRD4S1PR1PARP14
SCHEMBL7811616 0.90 NPC1 (0.52) NPC1RAB9ADRD4PARP14PARP10
SCHEMBL7817826 0.89 NPC1 (0.56) NPC1RAB9ADRD4PARP14PARP10
SCHEMBL7804406 0.89 S1PR1 (0.57) NPC1S1PR1PARP14PARP10HSD11B1
SCHEMBL9010961 0.85 DRD4 (0.60) NPC1RAB9ADRD4S1PR1PARP14
SCHEMBL7811596 0.85 NPC1 (0.51) NPC1RAB9ADRD4PARP14PARP10
SCHEMBL7804407 0.84 NPC1 (0.53) NPC1RAB9ADRD4TSHRLMNA
SCHEMBL27297526 0.84 NPC1 (0.70) NPC1RAB9ADRD4PARP14PARP10
SCHEMBL7809992 0.84 ALDH1A1 (0.52) NPC1S1PR1PARP10HSD11B1HPGD
SCHEMBL9259543 0.83 DRD4 (0.61) NPC1RAB9ADRD4S1PR1PARP14

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