SCHEMBL22798329

SCHEMBL22798329

CCC1C(N2CCC(N(Cc3ccon3)C3CC3)CC2)CC12CCN(C(=O)O)C2

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CNR2 P34972 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL22797901 0.81 CHRM4 (0.38) ALDH1A1CNR2KDM4E
SCHEMBL22797798 0.79 CHRM2 (0.30)
SCHEMBL22797914 0.79
SCHEMBL22797845 0.77
SCHEMBL18428958 0.77 KDM4E (0.37) ALDH1A1CNR2KDM4E
SCHEMBL22797868 0.76 NAMPT (0.32)
SCHEMBL22797836 0.76
SCHEMBL22797856 0.76
SCHEMBL22798403 0.76
SCHEMBL22797797 0.76

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-3331869-B1 MUSCARINIC AGONISTS HEPTARES THERAPEUTICS LTD (GB) 2020-12-23 EP claimed