SCHEMBL30740829

SCHEMBL30740829

CC(C)(C)OC(=O)N1CCCCC1Oc1ccnc(COc2ccc(F)cc2Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GAA P10253 1/20 0.38
▸ EPHA2 P29317 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ EPHB4 P54760 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ OPRK1 P41145 1/20 0.36

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
SCHEMBL29826647 0.86 GPR119 (0.47) MEN1KMT2AGAAIDO1
SCHEMBL30740794 0.85 ALDH1A1 (0.40) LMNAALDH1A1MEN1KMT2AEPHA2
SCHEMBL30740733 0.85 ALDH1A1 (0.41) LMNAALDH1A1MEN1KMT2AEPHA2
SCHEMBL30740746 0.83 ALDH1A1 (0.40) LMNAPOLBALDH1A1NPC1RAB9A
SCHEMBL30740755 0.81 LNPEP (0.38) LMNAALDH1A1OPRK1
SCHEMBL30740827 0.80 GPR119 (0.38) —
SCHEMBL30745378 0.77 SCN9A (0.39) ALDH1A1
SCHEMBL29826215 0.77 CYP2C9 (0.44) —
SCHEMBL18497751 0.75 IDO1 (0.56) IDO1
SCHEMBL30745372 0.75 LNPEP (0.39) MEN1KMT2A

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-117043154-A GPCR receptor agonists, pharmaceutical compositions comprising same, and methods of use thereof 卡莫特医疗有限公司 2023-11-10 — — CN disclosed
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