SCHEMBL22212646

SCHEMBL22212646

CC1(C)C2CC2C1N1CCc2c(Cc3ccc(-c4cscn4)cc3)cc(C(=O)O)nc2C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 5/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ PDE11A Q9HCR9 1/20 0.37
▸ ALOX5AP P20292 1/20 0.33
▸ ECE1 P42892 1/20 0.32
▸ GRM2 Q14416 1/20 0.31

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
SCHEMBL22212642 0.94 CHRM1 (0.37) CHRM1PDE2APDE11AALOX5AP
SCHEMBL28500321 0.79 CHRM1 (0.40) CHRM1PDE2APDE11AALOX5APECE1
SCHEMBL19925995 0.77 P2RX3 (0.38) CHRM1PDE2APDE11A
SCHEMBL19932659 0.70 P2RX3 (0.38) CHRM1PDE2APDE11AGRM2
SCHEMBL19932582 0.68 ADORA1 (0.41) CHRM1PDE2APDE11A
SCHEMBL21545739 0.67 CHRM1 (0.64) CHRM1PDE2APDE11A
SCHEMBL20030498 0.66 CHRM1 (0.49) CHRM1PDE2APDE11A
SCHEMBL19260906 0.66 CHRM1 (0.42) CHRM1PDE2APDE11AALOX5APECE1
SCHEMBL20030906 0.66 CHRM1 (0.42) CHRM1PDE2APDE11AECE1
SCHEMBL19268068 0.64 CHRM1 (0.44) CHRM1PDE2APDE11AECE1

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-3507289-B1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LTD (IN) 2020-07-15 — — EP disclosed
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