SCHEMBL30080017

SCHEMBL30080017

O=C(OC(c1ccccc1)[N+](=O)[O-])N1CCn2nc(CO)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 20/20 0.42

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
SCHEMBL30079868 0.81 GRM5 (0.42) GRM5
SCHEMBL4092297 0.73 MGLL (0.44) —
SCHEMBL22718725 0.72 GRM5 (0.46) GRM5
SCHEMBL22435395 0.70 NR1H2 (0.45) GRM5
SCHEMBL29697602 0.70 NR1H2 (0.45) GRM5
SCHEMBL20400267 0.68 MEN1 (0.45) GRM5
SCHEMBL27698658 0.65 MEN1 (0.43) —
SCHEMBL3308485 0.65 CYP4F2 (0.42) GRM5
SCHEMBL24536068 0.64 NR1H2 (0.41) GRM5
SCHEMBL22323630 0.64 GSR (0.43) —

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-112204036-B Macrocyclic fused pyrazoles as MCL-1 inhibitors 苏州亚盛药业有限公司 2022-12-27 — — CN disclosed
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