SCHEMBL7535017

SCHEMBL7535017

CCCCN1Cc2cc(OC)ccc2C[C@H]1C(=O)NCCc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.47
CYP11B2 P19099 6/20 0.47
FNTA P49354 12/20 0.46
FNTB P49356 11/20 0.46
PGGT1B P53609 8/20 0.41
HDAC8 Q9BY41 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
SCHEMBL7477932 0.79 FNTA (0.56) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7536075 0.78 FNTA (0.52) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7540064 0.76 FNTA (0.60) FNTAFNTBPGGT1B
SCHEMBL7533105 0.76 FNTA (0.51) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7533614 0.76 FNTA (0.59) FNTAFNTBPGGT1B
SCHEMBL7535019 0.76 FNTA (0.40) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7536077 0.75 FNTA (0.53) FNTAFNTBPGGT1B
SCHEMBL7474422 0.74 CYP11B1 (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8102502 0.71 FNTA (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8441885 0.71 FNTA (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B

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-1045844-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-08-21 EP claimed
EP-1045844-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP claimed
WO-1999028314-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO claimed