SCHEMBL6417857

SCHEMBL6417857

CC(C)[Si](Oc1ccc2cccc(C(=O)N3CCN(CCc4cnc(Cc5ccc(C#N)c(F)c5)[nH]4)CC3)c2c1)(C(C)C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
HTR1D P28221 2/20 0.42
DRD4 P21917 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR7 P34969 1/20 0.42
HTR2B P41595 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
KCNH2 Q12809 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GPR52 Q9Y2T5 1/20 0.37
PARP1 P09874 3/20 0.36
DRD3 P35462 3/20 0.36
DRD2 P14416 3/20 0.36
HTR1A P08908 1/20 0.35
HTR1B P28222 1/20 0.35
FNTA P49354 1/20 0.35

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
SCHEMBL7165997 0.85 FNTA (0.43) HTR2AHTR2CHTR1DDRD4SLC6A2
SCHEMBL6409301 0.76 HRH1 (0.44) HTR2AHTR2CDRD4HTR7SIGMAR1
SCHEMBL6409937 0.75 HTR2A (0.40) HTR2AHTR2CHTR1DDRD4SLC6A2
SCHEMBL8009019 0.73 GPR52 (0.35) HTR2AHTR1DKCNH2GPR52DRD2
SCHEMBL7721388 0.71 FNTA (0.44) KCNH2FNTAFNTB
SCHEMBL7721386 0.71 FNTA (0.44) KCNH2FNTAFNTB
SCHEMBL7163807 0.70 KCNH2 (0.44) SLC6A2SLC6A4SIGMAR1KCNH2GPR52
SCHEMBL8163840 0.69 KCNH2 (0.45) SIGMAR1KCNH2GPR52KCNJ1
SCHEMBL6432281 0.65 DAO (0.42) GPR52
Bromide SCHEMBL6409244 0.64 DAO (0.42) GPR52

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