SCHEMBL6179814

SCHEMBL6179814

N#Cc1ccc(Cn2cncc2CCNC(=O)[C@H]2CNCCN2C(=O)NC2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 15/20 0.46
FNTB P49356 15/20 0.46
PGGT1B P53609 10/20 0.46
CYP11B1 P15538 4/20 0.45
CYP11B2 P19099 4/20 0.45
KCNH2 Q12809 1/20 0.41

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
SCHEMBL6178568 0.84 FNTA (0.42) FNTAFNTB
SCHEMBL6180669 0.83 FNTA (0.46) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7679202 0.82 FNTA (0.48) FNTAFNTBPGGT1BKCNH2
SCHEMBL8100058 0.80 CYP11B1 (0.53) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8444284 0.80 CYP11B1 (0.53) FNTAFNTBPGGT1BCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8095228 0.79 CYP11B1 (0.52) FNTAFNTBPGGT1BCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8421807 0.79 CYP11B1 (0.52) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL6178566 0.78 FNTA (0.42) FNTAFNTBCYP11B1CYP11B2
SCHEMBL7682279 0.76 FNTA (0.49) FNTAFNTB
SCHEMBL8531142 0.76 CYP11B1 (0.59) FNTAFNTBPGGT1BCYP11B1CYP11B2

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-1140909-B1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORP (US) 2005-07-06 EP disclosed
US-6432959-B1 ANTITUMOR AGENTS SCHERING CORPORATION 2002-08-13 US disclosed
EP-1140909-A1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2001-10-10 EP disclosed
WO-2000039119-A1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2000-07-06 WO disclosed