SCHEMBL20651971

SCHEMBL20651971

COc1c(C(=O)NC2COCC[C@@H]2O)cc(Cc2ccc(-c3cn(C)nn3)cc2)c(C)c1C

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 20/20 0.49
PDE2A O00408 1/20 0.41
PDE11A Q9HCR9 1/20 0.41

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
SCHEMBL19353595 1.00 CHRM1 (0.49) CHRM1PDE2APDE11A
SCHEMBL20636655 0.94 CHRM1 (0.53) CHRM1PDE2APDE11A
SCHEMBL20636651 0.90 CHRM1 (0.55) CHRM1
SCHEMBL20636654 0.90 CHRM1 (0.55) CHRM1
SCHEMBL20636653 0.90 CHRM1 (0.55) CHRM1
SCHEMBL20636628 0.89 CHRM1 (0.56) CHRM1
SCHEMBL20636636 0.89 CHRM1 (0.57) CHRM1
SCHEMBL20636632 0.89 CHRM1 (0.56) CHRM1
SCHEMBL20636630 0.89 CHRM1 (0.56) CHRM1
SCHEMBL19353594 0.89 CHRM1 (0.56) 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-3428150-B1 AROMATIC RING COMPOUND HAVING A CHOLINERGIC MUSCARINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATOR ACTIVITY TAKEDA PHARMACEUTICALS CO (JP) 2023-07-12 EP disclosed
EP-3428150-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-01-16 EP disclosed