SCHEMBL29544416

SCHEMBL29544416

CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(c3cc(Cl)cnn3)C2)s1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 20/20 1.00
▸ SLC6A2 P23975 1/20 0.76
▸ TACR1 P25103 1/20 0.76
▸ OPRM1 P35372 1/20 0.76
▸ HTR2B P41595 1/20 0.76
▸ SLC6A3 Q01959 1/20 0.76

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
SCHEMBL18890293 1.00 GLS (1.00) GLSSLC6A2TACR1OPRM1HTR2B
SCHEMBL28704399 1.00 GLS (1.00) GLSSLC6A2TACR1OPRM1HTR2B
SCHEMBL29543837 0.92 GLS (1.00) GLS
SCHEMBL18890307 0.92 GLS (1.00) GLS
SCHEMBL18946081 0.92 GLS (1.00) GLS
SCHEMBL29543663 0.92 GLS (1.00) GLS
SCHEMBL18890330 0.92 GLS (1.00) GLS
SCHEMBL18890313 0.92 GLS (1.00) GLS
SCHEMBL28709845 0.92 GLS (1.00) GLSSLC6A2TACR1OPRM1HTR2B
SCHEMBL18890304 0.92 GLS (1.00) GLSSLC6A2TACR1OPRM1HTR2B

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-108349967-B 1,3, 4-thiadiazole compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2022-02-15 — — CN disclosed
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