SCHEMBL10656631

SCHEMBL10656631

CCOC(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ ACE P12821 6/20 0.49
▸ FKBP1A P62942 5/20 0.48
▸ LMNA P02545 1/20 0.47
▸ MMEL1 Q495T6 1/20 0.46
▸ PREP P48147 4/20 0.45
▸ DPP4 P27487 1/20 0.45
▸ DPP8 Q6V1X1 1/20 0.45
▸ ACE2 Q9BYF1 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL10403621 0.86 KLK7 (0.53) TSHRACEFKBP1A
SCHEMBL10658334 0.85 ACE (0.46) ACELMNAACE2SMN1; SMN2
Hydrochloric Acid SCHEMBL7264395 0.83 FKBP1A (0.50) ALDH1A1CYP3A4TSHRACEFKBP1A
SCHEMBL7264291 0.82 DPP8 (0.66) ALDH1A1CYP3A4TSHRACEFKBP1A
Hydrochloric Acid SCHEMBL10404195 0.82 ACE (0.49) TSHRACEFKBP1ADPP4DPP8
Hydrochloric Acid SCHEMBL7264261 0.81 DPP8 (0.65) ALDH1A1CYP3A4TSHRACEFKBP1A
SCHEMBL10404990 0.80 FKBP1A (0.50) ALDH1A1ACEFKBP1ALMNA
SCHEMBL6437871 0.80 ACE (0.57) ALDH1A1CYP3A4TSHRACEFKBP1A
SCHEMBL7428633 0.80 ACE (0.57) ALDH1A1CYP3A4TSHRACEFKBP1A
SCHEMBL1995962 0.80 CYP3A4 (0.56) ALDH1A1CYP3A4TSHRACEFKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4719200-A Amino acid derivatives and antihypertensive drugs containing the same AJINOMOTO CO., INC. (JP) 1988-01-12 — — US disclosed
EP-0173510-A2 Tripeptide derivatives for use as anti-hypertensive agents AJINOMOTO CO., INC. (JP) 1986-03-05 — — EP disclosed
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