SCHEMBL8097797

SCHEMBL8097797

COC(=O)C1CC(C(=O)NC(C)(Cc2ccc(C#N)cc2)c2cnc[nH]2)CN(C2Cc3ccccc3C2)C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.35
FNTA P49354 9/20 0.32
FNTB P49356 9/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
CTSS P25774 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
ELANE P08246 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
ACACB O00763 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
SCHEMBL8097792 1.00 CHRM4 (0.35) CHRM4FNTAFNTBL3MBTL1KDM4E
SCHEMBL8098378 0.89 CYP11B1 (0.34) FNTAFNTBL3MBTL1GPR119CTSS
SCHEMBL8098386 0.89 CYP11B1 (0.34) FNTAFNTBL3MBTL1GPR119CTSS
SCHEMBL8095949 0.88 FNTA (0.37) CHRM4FNTAFNTBCYP11B1CYP11B2
SCHEMBL8095942 0.88 FNTA (0.37) CHRM4FNTAFNTBCYP11B1CYP11B2
SCHEMBL8444117 0.87 GPR119 (0.42) GPR119CYP11B1CYP11B2ACACB
SCHEMBL8096857 0.87 GPR119 (0.42) GPR119CYP11B1CYP11B2ACACB
SCHEMBL8097497 0.87 GPR119 (0.42) GPR119CYP11B1CYP11B2ACACB
SCHEMBL8097494 0.87 GPR119 (0.42) GPR119CYP11B1CYP11B2ACACB
SCHEMBL8097906 0.87 L3MBTL1 (0.39) CHRM4FNTAFNTBL3MBTL1HRH3

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