SCHEMBL7831376

SCHEMBL7831376

COC(=O)C1(Cc2cccc(OC(F)(F)F)c2)CCN(Cc2cnc(C)n2Cc2ccc(C#N)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.54
FNTB P49356 5/20 0.54
PGGT1B P53609 5/20 0.54
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 9/20 0.44
MEN1 O00255 8/20 0.44
MAPT P10636 1/20 0.43
GPR6 P46095 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42
CNR1 P21554 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 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
Trifluoroacetic Acid SCHEMBL7837600 0.97 FNTA (0.52) FNTAFNTBPGGT1BL3MBTL1KMT2A
SCHEMBL7840263 0.87 FNTA (0.53) FNTAFNTBPGGT1BL3MBTL1KMT2A
SCHEMBL7842402 0.86 FNTA (0.67) FNTAFNTBPGGT1B
SCHEMBL7974415 0.86 FNTA (0.52) FNTAFNTBPGGT1BL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL7848662 0.85 FNTA (0.52) FNTAFNTBPGGT1BL3MBTL1KMT2A
Trifluoroacetic Acid SCHEMBL7974075 0.84 FNTA (0.64) FNTAFNTBPGGT1BL3MBTL1
SCHEMBL7831381 0.81 FNTA (0.44) FNTAFNTBPGGT1BL3MBTL1KMT2A
SCHEMBL7841277 0.80 FNTA (0.53) FNTAFNTBPGGT1BL3MBTL1KMT2A
SCHEMBL7830589 0.79 FNTA (0.52) FNTAFNTBPGGT1BL3MBTL1KMT2A
SCHEMBL7831904 0.79 FNTA (0.52) FNTAFNTBPGGT1BL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP claimed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP claimed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO claimed
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
US-6248756-B1 Inhibitors of farnesyl-protein transferase MERCK & CO., INC. 2001-06-19 US disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
US-5891889-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-04-06 US disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed