Sugi Predict

Sugi Predict / Compounds / SCHEMBL2852434

SCHEMBL2852434

SCHEMBL2852434

N#Cc1ccc2c(c1)nc(-c1ccccc1)n2C1CCN([C@@H]2CN[C@H](C(=O)N3CCSC3)C2)CC1.O=C([C@@H]1C[C@H](N2CCC(n3c(-c4ccccc4)nc4cc(C(F)(F)F)ccc43)CC2)CN1)N1CCSC1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.55
▸ DPP8 Q6V1X1 2/20 0.51
▸ DPP9 Q86TI2 2/20 0.51

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
SCHEMBL2852437 0.88 HTR2B (0.42) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2852003 0.84 DPP4 (0.59) DPP4DPP8DPP9
SCHEMBL2876987 0.83 DPP4 (0.62) DPP4DPP8DPP9
SCHEMBL2857091 0.78 DPP4 (0.60) DPP4DPP8DPP9
SCHEMBL2851989 0.77 DPP4 (0.68) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2854541 0.77 DPP4 (0.64) DPP4DPP8DPP9
SCHEMBL2707265 0.77 DPP4 (0.62) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2708597 0.75 DPP4 (0.69) DPP4DPP8DPP9
SCHEMBL2708990 0.73 DPP4 (0.61) DPP4DPP8DPP9
SCHEMBL2878278 0.73 DPP4 (0.76) 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