SCHEMBL9702219

SCHEMBL9702219

O=C(CCC(=O)N1CCC[C@H]1C(=O)O)CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.49
ACE P12821 10/20 0.47
ACE2 Q9BYF1 2/20 0.46
DGAT1 O75907 1/20 0.46
OPRD1 P41143 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL10335879 0.85 ACE (0.50) DPP4ACEACE2CHRM2CHRM4
SCHEMBL10335836 0.85 F2 (0.51) ACEACE2CHRM2CHRM4CHRM1
SCHEMBL7284635 0.84 OPRD1 (0.44) DPP4OPRD1
SCHEMBL7293220 0.83 ACE (0.57) ACEACE2CHRM2CHRM4CHRM1
SCHEMBL6786409 0.83 ACE (0.57) ACEACE2CHRM2CHRM4CHRM1
SCHEMBL10334010 0.82 KMT2A (0.49) DPP4ACEACE2DGAT1
Trifluoroacetic Acid SCHEMBL6789002 0.78 DPP4 (0.46) DPP4ACEACE2OPRD1
SCHEMBL3858374 0.78 ACE (0.57) DPP4ACEACE2CHRM2CHRM4
SCHEMBL3144462 0.78 ACE (0.64) ACEACE2CHRM2CHRM4CHRM1
SCHEMBL5742165 0.78 ACE (0.64) ACEACE2CHRM2CHRM4CHRM1

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
US-5091406-A Cognition activators ONO PHARMACEUTICAL CO., LTD. (JP) 1992-02-25 US disclosed