SCHEMBL7078098

SCHEMBL7078098

Clc1ccc(C2CCN(Cc3ccc4[nH]ccc4c3)CC2)cc1.Fc1ccc(N2CCN(Cc3ccc4[nH]ccc4c3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
SSTR5 P35346 1/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MCHR1 Q99705 3/20 0.45
CHRM4 P08173 1/20 0.44
DRD2 P14416 6/20 0.44
DRD4 P21917 5/20 0.44
DRD3 P35462 5/20 0.43
HTR1A P08908 4/20 0.43
HTR2A P28223 4/20 0.43
DRD1 P21728 2/20 0.43
DRD5 P21918 2/20 0.43
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
KCNH2 Q12809 1/20 0.43
MCHR2 Q969V1 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.42
CHRM5 P08912 1/20 0.42

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
SCHEMBL5753239 0.88 SSTR5 (0.58) SSTR5MCHR1DRD2DRD4SIGMAR1
SCHEMBL5752080 0.88 MEN1 (0.58) SSTR5MEN1KMT2AMCHR1DRD2
SCHEMBL5754611 0.86 MAPT (0.57) MAPTMCHR1DRD2DRD4DRD3
SCHEMBL5753042 0.86 MAPT (0.57) MAPTSSTR5MCHR1CHRM4DRD2
SCHEMBL5755013 0.80 MCHR1 (0.50) SSTR5MEN1KMT2AMCHR1DRD2
SCHEMBL5750042 0.78 MAPT (0.58) MAPTDRD2DRD4DRD3HTR1A
SCHEMBL5751430 0.77 DRD4 (0.52) SSTR5MEN1KMT2AMCHR1DRD2
SCHEMBL5751064 0.77 FAAH (0.54) MCHR1CHRM4DRD2DRD4DRD3
SCHEMBL6031666 0.75 MAPT (1.00) MAPTMEN1KMT2ADRD2DRD4
SCHEMBL5752961 0.75 DRD2 (0.50) DRD2DRD4DRD3HTR1ADRD1

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-1309586-A1 4-, 5-, 6- AND 7-INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2003-05-14 EP disclosed
WO-2002016349-A1 4-, 5-, 6- AND 7-INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2002-02-28 WO disclosed