SCHEMBL6409294

SCHEMBL6409294

CCCCOC(=O)N1CCN(CCc2cncn2Cc2ccc(C#N)c(F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 15/20 0.48
FNTB P49356 15/20 0.48
PGGT1B P53609 15/20 0.48
HRH1 P35367 4/20 0.41
HTR1A P08908 2/20 0.41
DRD4 P21917 2/20 0.41
HTR2A P28223 2/20 0.41
OPRM1 P35372 2/20 0.41
HRH2 P25021 3/20 0.40
CACNA1F O60840 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR7 P34969 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
DRD3 P35462 1/20 0.40
HTR5A P47898 1/20 0.40

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
SCHEMBL7168713 0.87 FNTA (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL6409301 0.81 HRH1 (0.44) HRH1HTR1ADRD4HTR2AOPRM1
SCHEMBL7163804 0.78 CYP11B1 (0.46) FNTAFNTBPGGT1BSLC6A3CYP11B1
SCHEMBL7189205 0.78 KCNH2 (0.44) FNTAFNTBPGGT1BSIGMAR1CYP11B1
SCHEMBL7165997 0.76 FNTA (0.43) FNTAFNTBPGGT1BDRD4HTR2A
SCHEMBL7164885 0.76 HTR2A (0.38) FNTAFNTBPGGT1BDRD4HTR2A
SCHEMBL7713236 0.74 CYP11B1 (0.70) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7163166 0.74 CYP11B1 (0.55) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7971164 0.74 CYP11B1 (0.52) CYP11B1CYP11B2
Bromide SCHEMBL6409239 0.73 CYP11B1 (0.54) FNTAFNTBPGGT1BCYP11B1CYP11B2

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