SCHEMBL7658010

SCHEMBL7658010

COc1cc(Cn2cncc2CCO)ccc1C#N

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 0.53
CYP11B2 P19099 13/20 0.53
FNTA P49354 7/20 0.46
FNTB P49356 7/20 0.46
PGGT1B P53609 7/20 0.46

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 0.91 CYP11B1 (0.60) CYP11B1CYP11B2FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL2789879 0.84 CYP11B1 (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7194363 0.83 CYP11B1 (0.57) CYP11B1CYP11B2FNTAFNTBPGGT1B
Bromide SCHEMBL8005944 0.82 CYP11B1 (0.56) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL6776276 0.81 CYP11B1 (0.57) CYP11B1CYP11B2
SCHEMBL7658006 0.80 FNTA (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7187767 0.78 CYP11B1 (0.60) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL286607 0.77 ALDH1A1 (0.49)
SCHEMBL13529261 0.77 CYP11B1 (0.68) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL6776413 0.76 CYP11B1 (0.85) CYP11B1CYP11B2

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