SCHEMBL29193390

SCHEMBL29193390

[Zn].[c]1ccc2c(c1)CCC2

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.38
▸ DRD4 P21917 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ SIGMAR1 Q99720 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
SCHEMBL23306 0.97 — —
SCHEMBL22225 0.92 TSHR (0.46) TSHRSIGMAR1
SCHEMBL467549 0.90 TSHR (0.43) TSHRSIGMAR1
SCHEMBL5685195 0.90 TSHR (0.43) TSHRSIGMAR1
SCHEMBL3979789 0.87 — —
SCHEMBL1639710 0.79 HTR2C (0.45) DRD4
SCHEMBL18584725 0.76 HTR2C (0.52) —
SCHEMBL9251714 0.76 — —
SCHEMBL214352 0.76 MAOA (0.46) DRD4
SCHEMBL217306 0.75 DRD2 (0.48) DRD4

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-117597333-A Heterocyclic compounds as receptor 2-triggering agonists expressed on myeloid cells and methods of use 维吉尔神经科学股份有限公司 2024-02-23 — — CN disclosed
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