SCHEMBL28904624

SCHEMBL28904624

CC(C)(C)OC(=O)N1CCc2c(Cc3ccc(-c4cscn4)cc3)cc(C(=O)NC3CCOCC3O)nc2C1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 17/20 0.61
▸ PDE2A O00408 1/20 0.61
▸ PDE11A Q9HCR9 1/20 0.61
▸ MTOR P42345 1/20 0.37

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
SCHEMBL19932658 1.00 CHRM1 (0.61) CHRM1PDE2APDE11AMTOR
SCHEMBL21545739 0.90 CHRM1 (0.64) CHRM1PDE2APDE11A
SCHEMBL19925995 0.83 P2RX3 (0.38) CHRM1PDE2APDE11AMTOR
SCHEMBL19932659 0.82 P2RX3 (0.38) CHRM1PDE2APDE11AMTOR
SCHEMBL19932708 0.81 CHRM1 (0.67) CHRM1PDE2APDE11A
SCHEMBL19925769 0.81 CHRM1 (0.67) CHRM1PDE2APDE11A
SCHEMBL21545681 0.81 CHRM1 (0.67) CHRM1PDE2APDE11A
Hydrochloric Acid SCHEMBL21545752 0.81 CHRM1 (0.66) CHRM1PDE2APDE11A
Hydrochloric Acid SCHEMBL19925310 0.81 CHRM1 (0.66) CHRM1PDE2APDE11A
Hydrochloric Acid SCHEMBL19928777 0.81 CHRM1 (0.66) CHRM1PDE2APDE11A

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
CN-109952302-B Positive allosteric modulators of muscarinic M1 receptors 苏文生命科学有限公司 2020-11-24 — — CN disclosed
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