SCHEMBL24154720

SCHEMBL24154720

O=C1CN(Cc2ccc(C3(CCCSc4cccc(OC5CCCC5)c4)CCCC(I)C3)cc2)C(=O)N1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.30
▸ PPARG P37231 2/20 0.30
▸ PPARD Q03181 1/20 0.30
▸ PPARA Q07869 1/20 0.30

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
SCHEMBL20201711 0.70 DUT (0.47) GRM2
SCHEMBL21536743 0.69 DUT (0.47) GRM2
SCHEMBL21536086 0.68 DUT (0.47) GRM2
SCHEMBL21536091 0.68 DUT (0.47) GRM2
SCHEMBL24153550 0.68 BACE1 (0.33) GRM2
SCHEMBL21536694 0.67 DUT (0.46) GRM2
SCHEMBL21536622 0.66 DUT (0.47) GRM2
SCHEMBL21536744 0.66 DUT (0.47) GRM2
SCHEMBL21536094 0.66 DUT (0.45) GRM2
SCHEMBL21536580 0.66 DUT (0.45) GRM2

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
WO-2021263205-A1 COMBINATION THERAPY WITH DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-12-30 — — WO disclosed
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