SCHEMBL7275048

SCHEMBL7275048

O=[C]C(NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.65
CTSL P07711 8/20 0.63
CTSB P07858 5/20 0.63
CTSS P25774 2/20 0.63
CTSK P43235 1/20 0.63
ALDH1A1 P00352 1/20 0.56
ALOX15 P16050 1/20 0.56

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
SCHEMBL7268325 0.90 CTSL (0.60) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7268195 0.87 CTSL (0.63) TACR1CTSLCTSBCTSSCTSK
SCHEMBL10720515 0.85 TACR1 (0.67) TACR1CTSLCTSBCTSSCTSK
SCHEMBL10720521 0.85 TACR1 (0.67) TACR1CTSLCTSBCTSSCTSK
Carbon Dioxide SCHEMBL2246839 0.84 TACR1 (0.69) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7268180 0.82 TACR1 (0.64) TACR1CTSLCTSBCTSSCTSK
SCHEMBL16095807 0.82 TACR1 (0.70) TACR1CTSLCTSBCTSSCTSK
SCHEMBL12052836 0.82 TACR1 (0.70) TACR1CTSLCTSBCTSSCTSK
SCHEMBL10049956 0.82 TACR1 (0.70) TACR1CTSLCTSBCTSSCTSK
SCHEMBL8100557 0.82 TACR1 (0.70) TACR1CTSLCTSBCTSSCTSK

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
EP-0376012-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed
EP-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed