SCHEMBL6409937

SCHEMBL6409937

N#Cc1ccc(Cc2ncc(CCN3CCN(C(=O)c4ccc(Br)c5ccc(O)cc45)CC3)[nH]2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.40
HTR2C P28335 3/20 0.40
SLC6A4 P31645 2/20 0.40
DRD4 P21917 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR1D P28221 1/20 0.40
HTR7 P34969 1/20 0.40
HTR2B P41595 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PARP1 P09874 9/20 0.40
KCNH2 Q12809 2/20 0.38
KCNJ1 P48048 1/20 0.36
GPR52 Q9Y2T5 1/20 0.35
ACHE P22303 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL7164885 0.83 HTR2A (0.38) HTR2AHTR2CSLC6A4DRD4SLC6A2
SCHEMBL6417857 0.75 HTR2A (0.42) HTR2AHTR2CSLC6A4DRD4SLC6A2
SCHEMBL6409301 0.75 HRH1 (0.44) HTR2AHTR2CDRD4HTR7SIGMAR1
SCHEMBL7163807 0.74 KCNH2 (0.44) SLC6A4SLC6A2SIGMAR1KCNH2KCNJ1
SCHEMBL8163840 0.73 KCNH2 (0.45) SIGMAR1KCNH2KCNJ1GPR52ACHE
SCHEMBL6433917 0.67 DAO (0.46) GPR52
SCHEMBL6432281 0.67 DAO (0.42) GPR52
SCHEMBL7743907 0.66 DAO (0.47) GPR52
Bromide SCHEMBL6409244 0.66 DAO (0.42) GPR52
SCHEMBL2724944 0.66 KCNH2 (0.59) HTR2AHTR2CSLC6A4DRD4SLC6A2

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
EP-1090012-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2005-04-06 EP disclosed
EP-1090012-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-11 EP disclosed
WO-2000001702-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO disclosed