SCHEMBL7658006

SCHEMBL7658006

COc1cc(Cn2cncc2C(C)O)ccc1C#N

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 11/20 0.47
FNTB P49356 11/20 0.47
PGGT1B P53609 11/20 0.47
CACNA1H O95180 2/20 0.41
CYP11B1 P15538 4/20 0.41
CYP11B2 P19099 4/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
AR P10275 2/20 0.40
CYP19A1 P11511 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
SCHEMBL7187666 0.81 CYP11B1 (0.60) FNTAFNTBPGGT1BCACNA1HCYP11B1
SCHEMBL7658010 0.80 CYP11B1 (0.53) FNTAFNTBPGGT1BCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL2789879 0.79 CYP11B1 (0.47) FNTAFNTBPGGT1BCACNA1HCYP11B1
SCHEMBL7187767 0.78 CYP11B1 (0.60) FNTAFNTBPGGT1BCACNA1HCYP11B1
SCHEMBL7512747 0.78 CYP11B1 (0.63) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7194363 0.76 CYP11B1 (0.57) FNTAFNTBPGGT1BCACNA1HCYP11B1
Bromide SCHEMBL8005944 0.75 CYP11B1 (0.56) FNTAFNTBPGGT1BCACNA1HCYP11B1
SCHEMBL7453177 0.72 FNTA (0.43) FNTAFNTBPGGT1B
SCHEMBL286459 0.72 AR (0.51) AR
SCHEMBL6774868 0.72 CYP11B1 (0.54) CYP11B1CYP11B2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6387903-B1 ANTICANCER AGENT; CARDIOVASCULAR DISORDERS; VIRICIDES MERCK & CO., INC. 2002-05-14 US disclosed