SCHEMBL29543830

SCHEMBL29543830

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

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 20/20 0.57
▸ SLC6A2 P23975 1/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38

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
SCHEMBL18890288 1.00 GLS (0.57) GLSSLC6A2TACR1OPRM1HTR2B
SCHEMBL21336454 1.00 GLS (0.57) GLSSLC6A2TACR1OPRM1HTR2B
SCHEMBL29543664 0.87 GLS (0.57) GLSSLC6A2TACR1OPRM1HTR2B
SCHEMBL18890324 0.87 GLS (0.57) GLSSLC6A2TACR1OPRM1HTR2B
SCHEMBL17309281 0.81 GLS (0.55) GLS
SCHEMBL17309177 0.79 GLS (0.61) GLSSLC6A2TACR1OPRM1HTR2B
SCHEMBL18933614 0.79 GLS (0.61) GLSSLC6A2TACR1OPRM1HTR2B
SCHEMBL18946019 0.76 HRH4 (0.51) GLS
SCHEMBL18945889 0.76 GLS (0.75) GLS
SCHEMBL18951919 0.75 GLS (0.59) GLS

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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