SCHEMBL30509636

SCHEMBL30509636

CC[C@@H](C)n1c(N[C@@H](C)c2cccc(OC)c2)cc(=O)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 4/20 0.41
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ DUT P33316 4/20 0.40
▸ ROCK2 O75116 6/20 0.39
▸ ROCK1 Q13464 6/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ PFKFB3 Q16875 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2B6 P20813 1/20 0.37

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
SCHEMBL16341309 0.83 CYP3A4 (0.56) CASRMTNR1AMTNR1BROCK2ROCK1
SCHEMBL16321584 0.83 CYP3A4 (0.56) CASRMTNR1AMTNR1BROCK2ROCK1
SCHEMBL16322842 0.73 CYP3A4 (0.71) CASRROCK2ROCK1MEN1KMT2A
SCHEMBL16322840 0.73 CYP3A4 (0.71) CASRROCK2ROCK1MEN1KMT2A
SCHEMBL16356132 0.73 CYP3A4 (0.71) CASRROCK2ROCK1MEN1KMT2A
SCHEMBL16321591 0.70 CYP3A4 (0.43) CASRROCK2ROCK1MEN1KMT2A
SCHEMBL16321590 0.70 CYP3A4 (0.43) CASRROCK2ROCK1MEN1KMT2A
SCHEMBL19954204 0.66 CASR (0.60) CASRMEN1KMT2APOLB
SCHEMBL16356126 0.66 CYP3A4 (0.76) MEN1KMT2ACYP3A4CYP2B6
SCHEMBL4926004 0.66 CASR (0.49) CASRROCK2ROCK1MEN1KMT2A

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
CN-109384729-B Pyrimidinedione compounds for cardiac disorders 迈奥卡迪亚公司 2023-06-30 — — CN disclosed
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