SCHEMBL7595099

SCHEMBL7595099

Clc1ccc(SCCN2CCN(c3cccc4[nH]ccc34)CC2)cc1Cl.Clc1cccc(Cl)c1SCCN1CCN(c2cccc3[nH]ccc23)CC1.Fc1ccc(SCCCN2CCN(c3cccc4[nH]ccc34)CC2)c(Cl)c1.Fc1ccc(SCCN2CCN(c3cccc4[nH]ccc34)CC2)c(Cl)c1.Fc1ccc(SCCN2CCN(c3cccc4[nH]ccc34)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
MAPT P10636 2/20 0.42
DRD3 P35462 8/20 0.41
DRD2 P14416 8/20 0.41
HTR1A P08908 8/20 0.41
HTR2A P28223 5/20 0.41
DRD1 P21728 3/20 0.41
DRD5 P21918 3/20 0.41
HRH1 P35367 2/20 0.39
HTR2C P28335 1/20 0.39
FAAH O00519 1/20 0.39
CNR1 P21554 1/20 0.39
P2RX7 Q99572 1/20 0.38
DRD4 P21917 1/20 0.38
HTR7 P34969 2/20 0.38
ADRA2C P18825 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
TMEM97 Q5BJF2 1/20 0.36
ADRA1A P35348 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL7093710 0.87 GAA (0.51) GAAMAPTDRD3DRD2HTR1A
SCHEMBL7095695 0.85 GAA (0.53) GAAMAPTDRD3DRD2HTR1A
SCHEMBL7096669 0.84 GAA (0.53) GAAMAPTDRD3DRD2HTR1A
SCHEMBL7095622 0.82 GAA (0.55) GAAMAPTDRD3DRD2HTR1A
SCHEMBL7094815 0.81 GAA (0.60) GAAMAPTDRD3DRD2FAAH
SCHEMBL7094842 0.80 DRD2 (0.54) GAAMAPTDRD3DRD2HTR1A
SCHEMBL7094839 0.79 GAA (0.63) GAAMAPTDRD3DRD2FAAH
SCHEMBL7094781 0.78 GAA (0.59) GAAMAPTDRD3DRD2FAAH
SCHEMBL7095084 0.77 GAA (0.61) GAAMAPTDRD3DRD2FAAH
SCHEMBL7090741 0.75 GAA (0.64) GAAMAPTDRD3DRD2FAAH

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-1246818-A1 NOVEL INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2002-10-09 EP claimed
WO-2001049680-A1 NOVEL INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2001-07-12 WO claimed