SCHEMBL7271505

SCHEMBL7271505

CC[C@H](C)[C@H](NP(=O)(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 9/20 0.48
▸ PREP P48147 4/20 0.46
▸ ACE P12821 4/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ TSHR P16473 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
SCHEMBL7264235 0.89 FKBP1A (0.52) FKBP1APREPACEALDH1A1CYP3A4
SCHEMBL7273048 0.89 FKBP1A (0.52) FKBP1APREPACEALDH1A1CYP3A4
SCHEMBL10932183 0.85 FKBP1A (0.56) FKBP1APREPACE
SCHEMBL7264272 0.84 ACE (0.52) FKBP1APREPACEALDH1A1CYP3A4
SCHEMBL7263794 0.83 FKBP1A (0.52) FKBP1APREPACEALDH1A1CYP3A4
SCHEMBL7265463 0.82 CMA1 (0.54) FKBP1AACEALDH1A1CYP3A4TSHR
SCHEMBL15251734 0.82 ACE (0.56) FKBP1AACE
SCHEMBL15251733 0.82 ACE (0.56) FKBP1AACE
SCHEMBL11869876 0.82 CYP3A4 (0.61) FKBP1APREPACEALDH1A1CYP3A4
SCHEMBL11869863 0.82 CYP3A4 (0.61) FKBP1APREPACEALDH1A1CYP3A4

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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