SCHEMBL28404125

SCHEMBL28404125

CC(C)OC(=O)C(N)(CC(C)(C)C)c1ccc2nccn2c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 1/20 0.41
▸ MCHR1 Q99705 1/20 0.39
▸ KEAP1 Q14145 1/20 0.36
▸ SYK P43405 2/20 0.34
▸ NAMPT P43490 8/20 0.34
▸ RET P07949 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ CPB2 Q96IY4 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL28404124 1.00 SSTR4 (0.41) SSTR4MCHR1KEAP1SYKNAMPT
SCHEMBL21112516 0.83 SSTR4 (0.45) SSTR4MCHR1KEAP1NAMPTRET
SCHEMBL21112518 0.83 SSTR4 (0.45) SSTR4MCHR1KEAP1NAMPTRET
SCHEMBL20908060 0.74 FFAR4 (0.36) MEN1KMT2A
SCHEMBL21149380 0.74 FFAR4 (0.36) MEN1KMT2A
SCHEMBL20907804 0.74 MEN1 (0.35) MEN1KMT2A
SCHEMBL21149466 0.74 MEN1 (0.35) MEN1KMT2A
SCHEMBL21148968 0.74 MEN1 (0.41) MEN1KMT2ACYP1A2
SCHEMBL28890357 0.74 MEN1 (0.41) MEN1KMT2ACYP1A2
SCHEMBL20908058 0.73 KMT2A (0.40) MEN1KMT2ACYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111212832-B 1-Benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2023-09-15 — — CN disclosed
CN-111212832-A 1-benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2020-05-29 — — CN disclosed
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