SCHEMBL30455284

SCHEMBL30455284

CC(C)(C)OC(=O)N1CCNCC1c1cccn(CCc2ccc(Cl)cc2F)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ F2 P00734 2/20 0.36
▸ F9 P00740 2/20 0.36
▸ F10 P00742 2/20 0.36
▸ F12 P00748 2/20 0.36
▸ PRSS1 P07477 2/20 0.36
▸ PRSS2 P07478 2/20 0.36
▸ F7 P08709 2/20 0.36
▸ PRSS3 P35030 2/20 0.36
▸ USP30 Q70CQ3 1/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ VEGFA P15692 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL22391591 0.77 VEGFA (0.44) MEN1MAPTHTTKMT2ANPSR1
SCHEMBL30502301 0.73 HTR2C (0.44) LMNATSHRPARP1
SCHEMBL30454719 0.73 HTR1A (0.40) HTTCYP3A4SLC6A2SLC6A4
SCHEMBL22392142 0.73 HTR1A (0.40) HTTCYP3A4SLC6A2SLC6A4
SCHEMBL31326208 0.73 ALDH1A1 (0.40) ALDH1A1LMNATSHRMEN1MAPT
SCHEMBL31306949 0.72 LMNA (0.41) ALDH1A1LMNATSHRMEN1MAPT
SCHEMBL873237 0.72 RAD52 (0.41) ALDH1A1LMNATSHRPARP1
SCHEMBL28052467 0.70 TACR1 (0.40) LMNATSHRPARP1
SCHEMBL5333905 0.70 HTR2C (0.47) PARP1
SCHEMBL1673503 0.70 MEN1 (0.43) ALDH1A1LMNATSHRMEN1MAPT

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-113227068-B GLP-1R agonists and uses thereof 上海齐鲁锐格医药研发有限公司 2023-06-13 — — CN disclosed
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