SCHEMBL7264272

SCHEMBL7264272

O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NP(=O)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 5/20 0.52
▸ FKBP1A P62942 9/20 0.49
▸ PREP P48147 3/20 0.46
▸ CTRB1 P17538 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ TSHR P16473 1/20 0.45

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
SCHEMBL7263650 0.89 ACE (0.54) ACETSHR
SCHEMBL7273048 0.88 FKBP1A (0.52) ACEFKBP1APREPALDH1A1CYP3A4
SCHEMBL7264235 0.88 FKBP1A (0.52) ACEFKBP1APREPALDH1A1CYP3A4
SCHEMBL7271505 0.84 FKBP1A (0.48) ACEFKBP1APREPALDH1A1CYP3A4
SCHEMBL10932183 0.84 FKBP1A (0.56) ACEFKBP1APREP
SCHEMBL7263794 0.81 FKBP1A (0.52) ACEFKBP1APREPALDH1A1CYP3A4
SCHEMBL7272846 0.80 ACE (0.59) ACEFKBP1A
SCHEMBL6439093 0.80 ACE (0.62) ACEFKBP1ACTRB1
SCHEMBL7272853 0.79 FKBP1A (0.51) ACEFKBP1APREPALDH1A1CYP3A4
SCHEMBL7270459 0.79 FKBP1A (0.45) ACEFKBP1APREPALDH1A1CYP3A4

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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