SCHEMBL8329392

SCHEMBL8329392

COc1ccccc1CCCCOc1ccc(-c2cn3cccnc3n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.63
ALDH1A1 P00352 10/20 0.63
GAA P10253 8/20 0.63
RAB9A P51151 7/20 0.63
GLA P06280 6/20 0.63
NPC1 O15118 5/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
POLB P06746 3/20 0.63
HPGD P15428 6/20 0.53
MAPT P10636 4/20 0.53
HSD17B10 Q99714 3/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
PDE5A O76074 1/20 0.49
TP53 P04637 3/20 0.49
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49
THRB P10828 1/20 0.49
LMNA P02545 1/20 0.47
CYP1A2 P05177 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
SCHEMBL8329528 0.85 NPC1 (0.65) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL8328706 0.81 MAPT (0.60) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL8085579 0.80 ALDH1A1 (0.66) KDM4EALDH1A1GAARAB9AGLA
SCHEMBL8091851 0.80 DRD2 (0.78) ALDH1A1SMN1; SMN2MAPTDRD2DRD3
SCHEMBL8086614 0.79 ALDH1A1 (0.67) KDM4EALDH1A1GAARAB9AGLA
SCHEMBL10753716 0.78 KDM4E (1.00) KDM4EALDH1A1GAARAB9AGLA
SCHEMBL8078634 0.78 DRD2 (0.77) KDM4EALDH1A1GAARAB9AGLA
SCHEMBL8091832 0.77 DRD2 (0.70) KDM4EALDH1A1GAARAB9AGLA
SCHEMBL8086607 0.77 ALDH1A1 (0.67) KDM4EALDH1A1GAARAB9AGLA
SCHEMBL7318575 0.74 HRH3 (0.72) KDM4EALDH1A1GAARAB9AGLA

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