SCHEMBL23933653

SCHEMBL23933653

C=C1CC2CN(C(=O)O)C[C@H]2C1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNA7 P36544 1/20 0.32

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
SCHEMBL2744307 1.00 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL2725094 1.00 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL3398592 0.79 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL21821171 0.79 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL2745077 0.79 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL18498060 0.77 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL18498063 0.77 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL3392372 0.75 MAPT (0.34)
SCHEMBL13000960 0.75 MAPT (0.34)
SCHEMBL28332968 0.74 CHRNB2 (0.30) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139303-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2023-03-01 EP disclosed
WO-2021216951-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2021-10-28 WO disclosed