SCHEMBL8085586

SCHEMBL8085586

[CH2]CCOc1ccc(-c2cn3ccccc3n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.76
NPC1 O15118 8/20 0.76
KDM4E B2RXH2 6/20 0.76
PKM P14618 3/20 0.76
ALDH1A1 P00352 3/20 0.76
SMN1; SMN2 Q16637 3/20 0.76
NFKB1 P19838 1/20 0.76
NFKB2 Q00653 1/20 0.76
RELA Q04206 1/20 0.76
MAPK1 P28482 2/20 0.71
HRH3 Q9Y5N1 2/20 0.67
EPHX2 P34913 1/20 0.64
POLB P06746 1/20 0.57
GFER P55789 2/20 0.56
DRD2 P14416 4/20 0.54
DRD3 P35462 4/20 0.54
HTR1A P08908 2/20 0.52
HTR7 P34969 2/20 0.52
HDAC6 Q9UBN7 1/20 0.51
MEN1 O00255 1/20 0.50

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
SCHEMBL5412145 0.86 RAB9A (0.76) RAB9ANPC1KDM4EPKMALDH1A1
SCHEMBL19322156 0.86 NPC1 (0.90) RAB9ANPC1KDM4EPKMALDH1A1
SCHEMBL8086737 0.86 RAB9A (0.76) RAB9ANPC1KDM4EPKMALDH1A1
SCHEMBL3303704 0.85 NPC1 (0.74) RAB9ANPC1KDM4EPKMALDH1A1
SCHEMBL8078651 0.85 RAB9A (0.74) RAB9ANPC1KDM4EPKMALDH1A1
SCHEMBL13325732 0.83 RAB9A (1.00) RAB9ANPC1KDM4EPKMALDH1A1
SCHEMBL7678283 0.82 HRH3 (0.79) RAB9ANPC1KDM4EPKMALDH1A1
SCHEMBL12797273 0.81 RAB9A (0.71) RAB9ANPC1KDM4EPKMALDH1A1
SCHEMBL13325926 0.81 RAB9A (0.77) RAB9ANPC1KDM4EPKMALDH1A1
SCHEMBL13325909 0.81 RAB9A (0.83) RAB9ANPC1KDM4EPKMALDH1A1

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