SCHEMBL7270459

SCHEMBL7270459

CCP(=O)(CC)N[C@@H](CCCC(N)C(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 9/20 0.45
▸ ACE P12821 5/20 0.43
▸ DPP4 P27487 3/20 0.43
▸ DPP8 Q6V1X1 3/20 0.43
▸ PREP P48147 2/20 0.43
▸ DPP7 Q9UHL4 2/20 0.42
▸ DPP9 Q86TI2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ LMNA P02545 1/20 0.41

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
SCHEMBL7270432 0.84 F2 (0.48) FKBP1AACEDPP4DPP8DPP7
SCHEMBL7263794 0.83 FKBP1A (0.52) FKBP1AACEPREPALDH1A1CYP3A4
SCHEMBL7264414 0.80 ITGB3 (0.51) FKBP1AACEDPP4DPP8DPP7
SCHEMBL7263940 0.80 FKBP1A (0.56) FKBP1AACEPREPLMNA
SCHEMBL7264272 0.79 ACE (0.52) FKBP1AACEPREPALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL7263625 0.77 FKBP1A (0.56) FKBP1APREPALDH1A1CYP3A4TSHR
SCHEMBL7264235 0.77 FKBP1A (0.52) FKBP1AACEPREPALDH1A1CYP3A4
SCHEMBL7273048 0.77 FKBP1A (0.52) FKBP1AACEPREPALDH1A1CYP3A4
SCHEMBL7264291 0.76 DPP8 (0.66) FKBP1AACEDPP4DPP8PREP
Hydrochloric Acid SCHEMBL7264261 0.76 DPP8 (0.65) FKBP1AACEDPP4DPP8DPP7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4590178-A DIURETICS AJINOMOTO COMPANY, INCORPORATED (JP) 1986-05-20 — — US disclosed
US-4536395-A DIPEPTIDES AJINOMOTO CO., INC. (JP) 1985-08-20 — — US disclosed
US-4472381-A Amino acid derivatives, methods of preparing said derivatives and antihypertensive drugs containing them AJINOMOTO COMPANY INCORPORATED (JP) 1984-09-18 — — US disclosed
EP-0085488-A2 Amino acid derivatives and antihypertensive drugs containing them AJINOMOTO CO., INC. (JP) 1983-08-10 — — EP disclosed
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