SCHEMBL8097399

SCHEMBL8097399

C[C@@H](c1cncn1Cc1ccc(C#N)cc1)N(C)C(=O)C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
FNTA P49354 12/20 0.41
FNTB P49356 12/20 0.41
PGGT1B P53609 11/20 0.41
KCNH2 Q12809 1/20 0.41
USP30 Q70CQ3 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
SCHEMBL8088808 0.85 CYP11B1 (0.44) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL8534856 0.83 CYP11B1 (0.49) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL8097403 0.83 CYP11B1 (0.49) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL8098299 0.81 CCR5 (0.44) KMT2ACYP11B1CYP11B2FNTAFNTB
SCHEMBL8102468 0.79 KDM4E (0.44) MEN1ALDH1A1KMT2AFNTAFNTB
SCHEMBL8088813 0.78 CYP11B1 (0.52) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8531991 0.78 CYP11B1 (0.52) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8097401 0.75 GPR119 (0.43) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL8088396 0.72 FNTA (0.45) ALDH1A1CYP11B1CYP11B2FNTAFNTB
SCHEMBL8103720 0.71 FNTA (0.46) 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