SCHEMBL8295955

SCHEMBL8295955

N#C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.67
▸ OPRM1 P35372 1/20 0.56
▸ OPRD1 P41143 1/20 0.56
▸ DPP8 Q6V1X1 1/20 0.55
▸ DPP9 Q86TI2 1/20 0.55

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
Hydrochloric Acid SCHEMBL6168195 0.99 DPP4 (0.65) DPP4OPRM1OPRD1DPP8DPP9
Hydrochloric Acid SCHEMBL6823557 0.99 DPP4 (0.65) DPP4OPRM1OPRD1DPP8DPP9
Hydrochloric Acid SCHEMBL6918367 0.97 DPP4 (0.67) DPP4OPRM1OPRD1DPP8DPP9
SCHEMBL8295957 0.97 DPP4 (0.63) DPP4OPRM1OPRD1DPP8DPP9
SCHEMBL1071104 0.93 DPP4 (0.57) DPP4OPRM1OPRD1DPP8DPP9
Hydrochloric Acid SCHEMBL6168108 0.92 DPP4 (0.56) DPP4OPRM1OPRD1DPP8DPP9
SCHEMBL6223802 0.84 DPP4 (0.51) DPP4DPP8DPP9
SCHEMBL6222266 0.82 DPP4 (0.51) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL6171974 0.80 DPP4 (0.47) DPP4
Hydrochloric Acid SCHEMBL6167671 0.80 DPP4 (0.46) DPP4OPRM1OPRD1DPP8DPP9

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
WO-2004111041-A1 PYRROLIDINE, THIAZOLIDINE AND OXAZOLIDINE COMPOUNDS WHICH INHIBIT DIPEPTIDYL PEPTIDASE-IV (DPP) FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-23 — — WO disclosed
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