SCHEMBL4750865

SCHEMBL4750865

CC1(C)Cc2cc(Br)cc(OCCCN3CCN(c4ccc(Cl)cc4)CC3)c2O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.48
HTR2A P28223 8/20 0.48
DRD2 P14416 5/20 0.48
DRD3 P35462 4/20 0.48
TMEM97 Q5BJF2 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
HRH1 P35367 2/20 0.44
HRH2 P25021 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
DRD4 P21917 2/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41

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
Hydrochloric Acid SCHEMBL4789354 0.89 HTR1A (0.39) HTR1AHTR2ADRD2DRD3TMEM97
Hydrochloric Acid SCHEMBL4789017 0.89 KCNH2 (0.49) HTR2ASIGMAR1
Hydrochloric Acid SCHEMBL4787404 0.86 KCNH2 (0.51) HTR1ADRD2SIGMAR1DRD4
Hydrochloric Acid SCHEMBL4789618 0.81 FFAR4 (0.37) HTR1ADRD2
Hydrochloric Acid SCHEMBL4907796 0.80 GAA (0.56) HTR1AHTR2ADRD2DRD3DRD1
SCHEMBL4750439 0.79 SMN1; SMN2 (0.36) DRD2DRD3KDM4EGAASLC6A2
SCHEMBL4788339 0.78 KCNH2 (0.50) HTR2ASIGMAR1
Hydrochloric Acid SCHEMBL4786832 0.77 DRD2 (0.49) HTR1ADRD2
SCHEMBL4750508 0.77 FFAR4 (0.36) HTR1AHTR2AALDH1A1MEN1LMNA
SCHEMBL4789257 0.76 SMN1; SMN2 (0.49) HTR1AHTR2ASIGMAR1ALDH1A1MEN1

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
WO-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO claimed
WO-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO disclosed