SCHEMBL7831381

SCHEMBL7831381

Cc1ncc(C(C)N2CCC(Cc3cccc(OC(F)(F)F)c3)(C(=O)O)CC2)n1Cc1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.44
FNTB P49356 3/20 0.44
PGGT1B P53609 3/20 0.44
CNR1 P21554 7/20 0.44
PPARG P37231 6/20 0.40
PPARA Q07869 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYP2C9 P11712 1/20 0.39
EGFR P00533 1/20 0.39
CHRM4 P08173 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRA2A P08913 1/20 0.39
ALOX5 P09917 1/20 0.39
ADRB3 P13945 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
CHRM3 P20309 1/20 0.39
TACR2 P21452 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39

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
SCHEMBL7842405 0.88 FNTA (0.54) FNTAFNTBPGGT1BCNR1
SCHEMBL7831376 0.81 FNTA (0.54) FNTAFNTBPGGT1BCNR1L3MBTL1
Trifluoroacetic Acid SCHEMBL7837600 0.80 FNTA (0.52) FNTAFNTBPGGT1BCNR1L3MBTL1
SCHEMBL7839751 0.79 FNTA (0.54) FNTAFNTBPGGT1BCNR1
SCHEMBL4821229 0.77 FNTA (0.41) FNTAFNTBPGGT1BL3MBTL1MEN1
SCHEMBL7841282 0.77 FNTA (0.41) FNTAFNTBPGGT1BL3MBTL1KCNH2
SCHEMBL7841107 0.76 FNTA (0.45) FNTAFNTBPGGT1B
SCHEMBL7840263 0.76 FNTA (0.53) FNTAFNTBPGGT1BL3MBTL1CHRM4
SCHEMBL7840542 0.76 FNTA (0.51) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7843372 0.75 FNTA (0.44) 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-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
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed