SCHEMBL21935767

SCHEMBL21935767

Cn1cc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4c3OCC4)cc2)nn1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.55
BRD4 O60885 6/20 0.52
KAT7 O95251 1/20 0.39
KAT6A Q92794 1/20 0.39
KAT5 Q92993 1/20 0.39

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
SCHEMBL21936393 0.94 CHRM1 (0.48) CHRM1BRD4
SCHEMBL21935775 0.89 CHRM1 (0.55) CHRM1BRD4KAT6AKAT5
SCHEMBL21873457 0.88 CHRM1 (0.58) CHRM1
SCHEMBL31669003 0.88 CHRM1 (0.58) CHRM1
SCHEMBL30427903 0.88 CHRM1 (0.58) CHRM1
SCHEMBL21873396 0.88 CHRM1 (0.58) CHRM1
SCHEMBL21935357 0.87 CHRM1 (0.64) CHRM1BRD4
SCHEMBL21873595 0.87 CHRM1 (0.54) CHRM1
SCHEMBL31668933 0.87 CHRM1 (0.54) CHRM1
SCHEMBL21873392 0.84 BRD4 (0.38) CHRM1BRD4

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-3643718-B1 HETEROCYCLIC COMPOUND AND ITS USE AS POSITIVE ALLOSTERIC MODULATOR OF THE CHOLINERGIC MUSCARINIC M1 RECEPTOR. TAKEDA PHARMACEUTICALS CO (JP) 2023-07-26 EP disclosed
EP-3643718-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-04-29 EP disclosed