SCHEMBL8480643

SCHEMBL8480643

N#Cc1ccc(Cn2cncc2CN2Cc3cc(-c4ccccc4)ccc3CC2CO)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.49
CYP11B2 P19099 3/20 0.49
FNTA P49354 16/20 0.47
FNTB P49356 16/20 0.47
PGGT1B P53609 3/20 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
SCHEMBL8480647 1.00 CYP11B1 (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7744257 0.87 FNTA (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7744133 0.82 FNTA (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7744139 0.82 FNTA (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8483577 0.82 FNTA (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8483580 0.82 FNTA (0.46) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7743534 0.79 FNTA (0.58) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7743536 0.79 FNTA (0.53) FNTAFNTBPGGT1B
SCHEMBL5891899 0.74 CYP11B1 (0.68) CYP11B1CYP11B2FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8188315 0.73 CYP11B1 (0.67) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977134-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-11-02 US claimed
US-5977134-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-11-02 US disclosed