SCHEMBL8091839

SCHEMBL8091839

[CH2]CCCOc1ccc(-c2cn3c(n2)SCC3)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.59
RAB9A P51151 7/20 0.59
MAPT P10636 9/20 0.58
KMT2A Q03164 8/20 0.58
MEN1 O00255 7/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
GAA P10253 2/20 0.58
GFER P55789 1/20 0.58
LMNA P02545 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
TP53 P04637 1/20 0.57
GLA P06280 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HSD17B10 Q99714 2/20 0.54
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
NSD2 O96028 1/20 0.51

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
SCHEMBL8086759 0.94 NPC1 (0.60) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL8086753 0.88 NPC1 (0.63) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL8078654 0.78 MAPT (0.51) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL8085602 0.74 DRD2 (0.68) MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL9742712 0.74 MAPT (0.72) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL9742689 0.73 MAPT (1.00) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL8086744 0.72 DRD2 (0.62) MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL3202839 0.71 MAPT (0.71) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL4424341 0.70 KMT2A (0.70) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL9738237 0.70 MAPT (0.67) NPC1RAB9AMAPTKMT2AMEN1

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-6103724-A EXHIBIT MAINLY ANTIPSYCHOTIC EFFECTS, E.G., SCHIZOPHRENIA, ORGANIC MENTAL DISORDERS, AFFECTIVE DISORDERS, ANXIETY, PERSONALITY DISORDERS; NEUROLEPTIC ACTIVITIY; ATYPICAL ANTIPSYCHOTICS, COGNITION ACTIVATORS, ANTIDEPRESSANTS; RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2000-08-15 US disclosed
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