SCHEMBL8091834

SCHEMBL8091834

ClCCCCOc1ccc(-c2cc3ccccn3c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.66
NPC1 O15118 3/20 0.52
ALDH1A1 P00352 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
POLB P06746 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
KCNH2 Q12809 1/20 0.38
HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL8090027 0.96 HRH3 (0.67) HRH3NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8086750 0.94 HRH3 (0.65) HRH3NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1847594 0.76 RAB9A (0.61) HRH3NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL9482709 0.75 KCNA3 (0.60) HRH3KCNH2HRH4
SCHEMBL13394698 0.75 HRH3 (0.66) HRH3NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7008263 0.75 HRH3 (0.58) HRH3NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL29089761 0.74 ALDH1A1 (0.62) HRH3NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL10678308 0.73 HDAC1 (0.60) HRH3KCNH2HRH4
SCHEMBL10679393 0.73 HDAC1 (0.60) HRH3KCNH2HRH4
SCHEMBL10682923 0.73 HDAC1 (0.60) HRH3KCNH2HRH4

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