SCHEMBL8086750

SCHEMBL8086750

ClCCOc1ccc(-c2cc3ccccn3c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.65
NPC1 O15118 4/20 0.55
ALDH1A1 P00352 4/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
POLB P06746 2/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MAPK1 P28482 1/20 0.38
LTA4H P09960 1/20 0.37

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
SCHEMBL8091834 0.94 HRH3 (0.66) HRH3NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1847594 0.78 RAB9A (0.61) HRH3NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL29089761 0.76 ALDH1A1 (0.62) HRH3NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7306229 0.75 LSS (0.56) HRH3NPC1ALDH1A1RAB9AMAPK1
SCHEMBL942764 0.75 ALDH1A1 (0.65) HRH3NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL38657287 0.75 NPC1 (0.56) HRH3NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7008263 0.74 HRH3 (0.58) HRH3NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL13394694 0.73 HRH3 (0.65) HRH3NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8086737 0.73 RAB9A (0.76) HRH3NPC1ALDH1A1RAB9ASMN1; SMN2

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