SCHEMBL21935666

SCHEMBL21935666

O=C(NC1CCCC1)c1cc(Cc2ccc(-n3cccn3)cc2)c2c(n1)CCO2

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 17/20 0.52
▸ DRD2 P14416 2/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ DRD3 P35462 2/20 0.40

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
SCHEMBL21935662 0.99 CHRM1 (0.51) CHRM1DRD2HTR2ADRD3
SCHEMBL21936387 0.94 CHRM1 (0.53) CHRM1
SCHEMBL21936381 0.93 CHRM1 (0.52) CHRM1
SCHEMBL31668957 0.90 CHRM1 (0.66) CHRM1
SCHEMBL21873393 0.90 CHRM1 (0.66) CHRM1
SCHEMBL30427991 0.89 CHRM1 (0.64) CHRM1
SCHEMBL21873456 0.89 CHRM1 (0.64) CHRM1
SCHEMBL21873578 0.88 CHRM1 (0.59) CHRM1
SCHEMBL31668987 0.88 CHRM1 (0.59) CHRM1
SCHEMBL22212622 0.88 CHRM1 (0.52) CHRM1

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
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