SCHEMBL8519003

SCHEMBL8519003

c1cnc2c(OCCNCCCCNC3CCCCC3)cccc2c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.51
CXCR4 P61073 1/20 0.48
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GLRA3 O75311 2/20 0.46
GLRB P48167 1/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL7564957 0.84 MEN1 (0.46) HTR1AGLRA3GLRBMAPTMEN1
SCHEMBL7566258 0.82 KMT2A (0.53) HTR1ARAB9ANPC1ALDH1A1KDM4E
SCHEMBL9093631 0.79 RAB9A (0.53) HTR1ARAB9ANPC1KDM4EGLRA3
SCHEMBL1101354 0.78 RAB9A (0.60) HTR1ARAB9ANPC1ALDH1A1KDM4E
SCHEMBL9093161 0.78 RAB9A (0.52) RAB9ANPC1ALDH1A1KDM4EGLRA3
SCHEMBL9093076 0.75 RAB9A (0.53) HTR1ARAB9ANPC1ALDH1A1KDM4E
SCHEMBL7565611 0.74 POLB (0.47) HTR1ARAB9ANPC1ALDH1A1KDM4E
SCHEMBL1115580 0.72 MAPT (0.62) RAB9ANPC1ALDH1A1KDM4EGLRA3
SCHEMBL7565815 0.72 POLB (0.52) HTR1ARAB9ANPC1ALDH1A1KDM4E
SCHEMBL7564124 0.72 POLB (0.60) HTR1ARAB9ANPC1ALDH1A1KDM4E

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-0929525-A2 NOVEL HETEROARYLOXYETHYLAMINES, METHOD OF PREPARATION, APPLICATION AS MEDICINE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-07-21 EP claimed
WO-1998013349-A2 HETEROARYLOXYETHYLAMINES AS 5-HT1A LIGANDS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-04-02 WO claimed