SCHEMBL23778366

SCHEMBL23778366

Cc1cccc2c1C1(CCC(N3CCCN(C(=O)O)CC3)CC1)C(=O)N2

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.40
MAPK14 Q16539 1/20 0.36
HTR7 P34969 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL20066052 0.88 POLB (0.45) HRH3KDM4EALDH1A1L3MBTL1
SCHEMBL30179256 0.88 POLB (0.45) HRH3KDM4EALDH1A1L3MBTL1
SCHEMBL23778297 0.84 HRH3 (0.39) HRH3MAPK14
SCHEMBL23778450 0.84 OPRM1 (0.48) HRH3HTR7KDM4EALDH1A1
SCHEMBL23778440 0.82 HRH3 (0.39) HRH3KDM4EALDH1A1
SCHEMBL23778341 0.81 MAPK14 (0.45) HRH3MAPK14
SCHEMBL23778437 0.81 PRKCB (0.34) MAPK14HTR7KDM4E
SCHEMBL23778330 0.80 IP6K1 (0.39) HRH3MAPK14ALDH1A1
SCHEMBL23778423 0.80 HRH3 (0.37) HRH3MAPK14L3MBTL1
SCHEMBL23778317 0.77 MAPK14 (0.40) HRH3MAPK14

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
EP-3526207-B1 HETEROCYCLIC COMPOUNDS HAVING ACTIVITY AS MODULATORS OF MUSCARINIC M1 AND/OR M4 RECEPTORS IN THE TREATMENT OF CNS DISEASES AND PAINS. HEPTARES THERAPEUTICS LTD (GB) 2021-09-08 EP claimed