SCHEMBL8103795

SCHEMBL8103795

Cc1ccc(C)c(CN2CCCC(C(=O)N[C@@H](C)c3cncn3Cc3ccc(C#N)cc3)C2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.41
CYP11B2 P19099 5/20 0.41
FNTA P49354 11/20 0.40
FNTB P49356 11/20 0.40
PGGT1B P53609 9/20 0.40
KCNH2 Q12809 1/20 0.39
DRD4 P21917 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
S1PR1 P21453 1/20 0.38

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
SCHEMBL8088439 0.87 FNTA (0.52) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8098288 0.86 FNTA (0.43) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8095903 0.86 CYP11B1 (0.45) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8097850 0.84 FNTA (0.52) FNTAFNTBPGGT1BKCNH2MEN1
SCHEMBL8088935 0.84 FNTA (0.52) FNTAFNTBPGGT1BKCNH2MEN1
SCHEMBL8095888 0.84 FNTA (0.42) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8088208 0.84 FNTA (0.44) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8103799 0.84 CYP11B1 (0.48) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8426462 0.84 CYP11B1 (0.48) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL446560 0.83 FNTA (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127366-A ANTICARCINOGENIC OR ANTITUMOR AGENTS MERCK & CO., INC. (US) 2000-10-03 US disclosed