SCHEMBL27074530

SCHEMBL27074530

O=C1CCc2ccccc2N1CCCN1CCC(CCCCO)CC1

nearest known ligand 0.98

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 19/20 0.98
CHRM2 P08172 18/20 0.98
CHRM4 P08173 18/20 0.98
CHRM5 P08912 18/20 0.98
CHRM3 P20309 18/20 0.98
DRD2 P14416 14/20 0.98
DRD4 P21917 14/20 0.98
DRD3 P35462 14/20 0.98
ADRB2 P07550 3/20 0.78
ADRB1 P08588 3/20 0.78
ADRA1D P25100 3/20 0.78
ADRA1A P35348 3/20 0.78
ADRA1B P35368 3/20 0.78
GRIN1 Q05586 1/20 0.57
GRIN2B Q13224 1/20 0.57

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
SCHEMBL30777193 0.93 CHRM1 (0.89) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL22077888 0.93 CHRM1 (0.89) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL29400334 0.88 CHRM2 (1.00) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4100746 0.88 CHRM2 (1.00) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL22032519 0.83 CHRM1 (0.77) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL31402667 0.83 CHRM1 (0.77) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL22077988 0.83 CHRM1 (0.73) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL22032267 0.83 CHRM1 (0.76) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL22032220 0.83 CHRM2 (0.79) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL30777190 0.83 CHRM2 (0.79) CHRM1CHRM2CHRM4CHRM5CHRM3

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-3891143-B1 QUINOLINONE AND BENZOXAZINE DERIVATIVES AS MUSCARINIC M1 AND/OR M4 RECEPTOR AGONISTS HEPTARES THERAPEUTICS LTD (GB) 2024-01-31 EP disclosed