SCHEMBL7817809

SCHEMBL7817809

O=C(O)CCCOc1ccc(C2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 1/20 0.53
DRD4 P21917 3/20 0.51
PARP14 Q460N5 1/20 0.50
PARP10 Q53GL7 1/20 0.50
HSD11B1 P28845 1/20 0.49
HRH3 Q9Y5N1 6/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.47
HRH1 P35367 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL7810022 0.95 NPC1 (0.54) S1PR1NPC1RAB9ADRD4PARP14
SCHEMBL7811596 0.90 NPC1 (0.51) NPC1RAB9ADRD4PARP14PARP10
SCHEMBL7817826 0.88 NPC1 (0.56) NPC1RAB9ADRD4PARP14PARP10
SCHEMBL9259543 0.86 DRD4 (0.61) S1PR1NPC1RAB9ADRD4PARP14
SCHEMBL7804397 0.84 NPC1 (0.52) NPC1RAB9ADRD4PARP10HRH3
SCHEMBL7811616 0.84 NPC1 (0.52) NPC1RAB9ADRD4PARP14PARP10
SCHEMBL9010961 0.84 DRD4 (0.60) S1PR1NPC1RAB9ADRD4PARP14
SCHEMBL7804406 0.83 S1PR1 (0.57) S1PR1NPC1PARP14PARP10HSD11B1
SCHEMBL7814084 0.83 HRH1 (0.56) S1PR1HRH3HRH1LMNATSHR
SCHEMBL7804503 0.83 LMNA (0.68) NPC1RAB9APOLBHPGDLMNA

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