SCHEMBL7163166

SCHEMBL7163166

CC(=O)OCc1cncn1Cc1ccc(C#N)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.55
CYP11B2 P19099 7/20 0.55
FNTA P49354 5/20 0.41
FNTB P49356 5/20 0.41
PGGT1B P53609 5/20 0.41
CACNA1H O95180 2/20 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
Bromide SCHEMBL6409239 0.99 CYP11B1 (0.54) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7194363 0.86 CYP11B1 (0.57) CYP11B1CYP11B2FNTAFNTBPGGT1B
Bromide SCHEMBL8005944 0.85 CYP11B1 (0.56) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7654511 0.85 CYP11B1 (0.51) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7704743 0.83 CYP11B1 (0.55) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7263769 0.83 CYP11B1 (0.42) CYP11B1CYP11B2CACNA1H
SCHEMBL6452310 0.82 CYP11B1 (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL6366103 0.82 CYP11B1 (0.79) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL6433915 0.82 CYP11B1 (0.64) CYP11B1CYP11B2CACNA1H
Bromide SCHEMBL7574960 0.81 CYP11B1 (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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1158984-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2003-05-21 EP disclosed
US-6562823-B1 Inhibition of farnesyl-protein transferase has been shown to block the growth of Ras-transformed cells in soft agar MERCK & CO., INC. 2003-05-13 US disclosed
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed
US-6410534-B1 ANTICANCER AGENTS MERCK & CO., INC. 2002-06-25 US disclosed
US-6358956-B1 IMIDAZOLYLALKYL-1-PIPERAZINE DERIVATIVES; FARNESYL-PROTEIN AND GERANYLGERANYL TRANSFERASE INHIBITORS; ANTICARCINOGENIC AGENTS MERCK & CO., INC. 2002-03-19 US disclosed
EP-1158984-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-12-05 EP disclosed
US-6297239-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2001-10-02 US disclosed
WO-2000025788-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-05-11 WO disclosed