SCHEMBL8329528

SCHEMBL8329528

COc1ccccc1CCCCOc1ccc(-c2cn3ccccc3n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.65
RAB9A P51151 6/20 0.65
PKM P14618 4/20 0.65
KDM4E B2RXH2 4/20 0.65
ALDH1A1 P00352 4/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
NFKB1 P19838 1/20 0.65
NFKB2 Q00653 1/20 0.65
RELA Q04206 1/20 0.65
DRD2 P14416 8/20 0.65
DRD3 P35462 8/20 0.65
EPHX2 P34913 1/20 0.61
MAPK1 P28482 2/20 0.61
HRH3 Q9Y5N1 2/20 0.61
HTR1A P08908 2/20 0.55
HTR7 P34969 2/20 0.55
HPGD P15428 2/20 0.54
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL8329392 0.85 KDM4E (0.63) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8328706 0.82 MAPT (0.60) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL19322156 0.81 NPC1 (0.90) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL8078651 0.81 RAB9A (0.74) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL5412145 0.79 RAB9A (0.76) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL8086583 0.79 DRD2 (1.00) ALDH1A1SMN1; SMN2DRD2DRD3HRH3
SCHEMBL3303704 0.78 NPC1 (0.74) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL7678283 0.78 HRH3 (0.79) NPC1RAB9APKMKDM4EALDH1A1
SCHEMBL8086599 0.77 DRD3 (1.00) DRD2DRD3HRH3HTR1AHTR7
SCHEMBL9293443 0.77 NPC1 (1.00) NPC1RAB9APKMKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0935599-A1 2-METHOXYPHENYLPIPERAZINE DERIVATIVES RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1999-08-18 EP disclosed
WO-1998018797-A1 2-METHOXYPHENYLPIPERAZINE DERIVATIVES Richter Gedeon Vegyészeti Gyár Rt. (HU) 1998-05-07 WO disclosed