SCHEMBL7837592

SCHEMBL7837592

Cc1ncc(C(Cc2ccc(C#N)cc2)N2CCN(c3ccccc3)C(=O)C2=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 9/20 0.45
FNTB P49356 9/20 0.45
PGGT1B P53609 5/20 0.39
NR1H4 Q96RI1 1/20 0.36
TRIM33 Q9UPN9 1/20 0.35
EP300 Q09472 4/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
USP1 O94782 1/20 0.32

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 SCHEMBL7834494 0.99 FNTA (0.44) FNTAFNTBPGGT1BNR1H4TRIM33
SCHEMBL444433 0.76 FNTA (0.50) FNTAFNTBPGGT1B
SCHEMBL7837588 0.75 FNTA (0.35) FNTAFNTBPGGT1BNR1H4TRIM33
Hydrochloric Acid SCHEMBL8161653 0.75 FNTA (0.49) FNTAFNTBPGGT1B
SCHEMBL7668376 0.75 SLC6A4 (0.44) TRIM33SLC6A2SLC6A4
SCHEMBL7836006 0.74 FNTA (0.53) FNTAFNTBPGGT1B
SCHEMBL6913123 0.74 TRIM24 (0.35) FNTAFNTBTRIM33SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL7838781 0.73 FNTA (0.52) FNTAFNTBPGGT1B
SCHEMBL7453424 0.71 FNTA (0.53) FNTAFNTBPGGT1BSLC6A2
SCHEMBL5759105 0.71 KCNH2 (0.37) FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891350-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-01-17 EP claimed
EP-0891350-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP claimed
WO-1997036889-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO claimed
EP-0891350-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-01-17 EP disclosed
EP-0891350-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1997036889-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed