SCHEMBL2850463

SCHEMBL2850463

O=C([C@@H]1C[C@H](N2CCN(c3cc(C(F)(F)F)nc4cc(O)ccc34)CC2)CN1)N1CCSC1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.82
DPP8 Q6V1X1 1/20 0.82
DPP9 Q86TI2 1/20 0.82

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 SCHEMBL2855945 0.93 DPP4 (0.81) DPP4DPP8DPP9
SCHEMBL2855323 0.92 DPP4 (0.82) DPP4DPP8DPP9
SCHEMBL2860501 0.91 DPP4 (0.81) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2709755 0.90 DPP4 (0.98) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2708587 0.90 DPP4 (0.98) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2709575 0.89 DPP4 (0.77) DPP4DPP8DPP9
SCHEMBL2855061 0.87 DPP4 (0.82) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2728110 0.87 DPP4 (0.92) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2710954 0.87 DPP4 (0.81) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2710826 0.86 DPP4 (0.80) DPP4DPP8DPP9

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-7790725-B2 Thiazolidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-07 US disclosed