SCHEMBL7528341

SCHEMBL7528341

CCOc1ccccc1COC(=O)N1CCN(C(Cc2ccc(C#N)cc2)c2cnc(C)[nH]2)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 17/20 0.59
FNTB P49356 17/20 0.59
PGGT1B P53609 17/20 0.59
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL7464354 0.91 FNTA (0.48) FNTAFNTBPGGT1BSLC6A2SLC6A4
SCHEMBL7650231 0.90 FNTA (0.60) FNTAFNTBPGGT1BSLC6A2SLC6A4
SCHEMBL7465336 0.87 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL7466130 0.86 FNTA (0.49) FNTAFNTBPGGT1B
SCHEMBL7463179 0.85 FNTA (0.46) FNTAFNTBPGGT1B
SCHEMBL7464816 0.85 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL7468926 0.84 FNTA (0.44) FNTAFNTBPGGT1B
SCHEMBL7468251 0.82 FNTA (0.40) FNTAFNTBPGGT1BHRH2HRH1
SCHEMBL7192580 0.80 FNTA (0.58) FNTAFNTBPGGT1BHRH1
SCHEMBL7469797 0.78 FNTA (0.49) FNTAFNTBPGGT1BSLC6A2SLC6A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165082-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 EP disclosed
US-6358956-B1 IMIDAZOLYLALKYL-1-PIPERAZINE DERIVATIVES; FARNESYL-PROTEIN AND GERANYLGERANYL TRANSFERASE INHIBITORS; ANTICARCINOGENIC AGENTS MERCK & CO., INC. 2002-03-19 US disclosed
EP-1165082-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-01-02 EP disclosed
WO-2000051611-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 WO disclosed