SCHEMBL8098346

SCHEMBL8098346

COC(=O)C1CC(C(=O)NC(C)(Cc2ccc(C#N)cc2)c2cnc[nH]2)CN(CC(C)C)C1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.33
FNTA P49354 2/20 0.32
FNTB P49356 2/20 0.32
S1PR1 P21453 2/20 0.32
CYP11B1 P15538 3/20 0.32
CYP11B2 P19099 3/20 0.32
CHRM4 P08173 1/20 0.32
TIPARP Q7Z3E1 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
CYP19A1 P11511 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL8098343 1.00 HRH3 (0.33) HRH3FNTAFNTBS1PR1CYP11B1
SCHEMBL8097062 0.91 CYP19A1 (0.36) FNTAFNTBCYP19A1
SCHEMBL8097065 0.91 CYP19A1 (0.36) FNTAFNTBCYP19A1
SCHEMBL8103769 0.91 CYP19A1 (0.36) FNTAFNTBCYP19A1
SCHEMBL8098378 0.90 CYP11B1 (0.34) HRH3FNTAFNTBCYP11B1CYP11B2
SCHEMBL8098386 0.90 CYP11B1 (0.34) HRH3FNTAFNTBCYP11B1CYP11B2
SCHEMBL8095949 0.89 FNTA (0.37) FNTAFNTBS1PR1CYP11B1CYP11B2
SCHEMBL8095942 0.89 FNTA (0.37) FNTAFNTBS1PR1CYP11B1CYP11B2
SCHEMBL8097906 0.87 L3MBTL1 (0.39) HRH3FNTAFNTBCHRM4CYP19A1
SCHEMBL8097913 0.87 L3MBTL1 (0.39) HRH3FNTAFNTBCHRM4CYP19A1

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