SCHEMBL28475381

SCHEMBL28475381

CC1(C)CN(c2cnn3c2CN(C(=O)O)CC3)C(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 13/20 0.36
▸ CREBBP Q92793 1/20 0.31

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
SCHEMBL22831716 0.85 NR1H2 (0.40) GRM5
SCHEMBL22831725 0.78 HRH4 (0.46) —
SCHEMBL22854156 0.78 DRD2 (0.41) GRM5
SCHEMBL22854165 0.77 OPRM1 (0.34) GRM5
SCHEMBL22854231 0.77 HRH4 (0.49) —
SCHEMBL22854158 0.77 HRH4 (0.48) —
SCHEMBL22854166 0.77 DRD2 (0.40) —
SCHEMBL22854139 0.77 HRH4 (0.49) —
SCHEMBL23778976 0.75 ITGB3 (0.32) CREBBP
SCHEMBL22831723 0.75 GRM5 (0.38) GRM5

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-111801331-A Indole-2-carbonyl compounds and their use for the treatment of hepatitis b 诺华股份有限公司 2020-10-20 — — CN disclosed
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