SCHEMBL9537814

SCHEMBL9537814

N=C(Nc1cc(F)ccc1-c1ccccc1)N1CCC(O)CC1.N=C(Nc1ccc(F)cc1-c1ccccc1)N1CCC(O)CC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.50
CHRM2 P08172 7/20 0.50
CHRM1 P11229 7/20 0.50
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 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
SCHEMBL9060154 0.95 CHRM3 (0.47) CHRM3CHRM2CHRM1
SCHEMBL9311426 0.95 CHRM3 (0.51) CHRM3CHRM2CHRM1DRD2DRD4
SCHEMBL9059607 0.83 CHRM3 (0.47) CHRM3
SCHEMBL9059897 0.83 ALDH1A1 (0.49) CHRM3CHRM2CHRM1
SCHEMBL9059673 0.82 CHRM3 (0.49) CHRM3CHRM2CHRM1DRD2DRD4
SCHEMBL9059738 0.81 CHRM3 (0.50) CHRM3CHRM2CHRM1
SCHEMBL9059333 0.80 CHRM3 (0.52) CHRM3CHRM2CHRM1DRD2DRD4
SCHEMBL9059940 0.80 CHRM3 (0.48) CHRM3CHRM2CHRM1DRD2DRD4
SCHEMBL9536114 0.79 CHRM3 (0.47) CHRM3CHRM2CHRM1DRD2DRD4
SCHEMBL9059960 0.78 MEN1 (0.38) CHRM3

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-0536151-A1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM. BOOTS CO PLC (GB) 1993-04-14 EP disclosed