SCHEMBL7326797

SCHEMBL7326797

O=C(CBr)CBr.O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](COCc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.56
CTSL P07711 6/20 0.55
CTSB P07858 4/20 0.55
CTSS P25774 2/20 0.55
CTSK P43235 1/20 0.55

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
SCHEMBL7319742 0.93 TACR1 (0.62) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7326035 0.92 TACR1 (0.61) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7326801 0.90 CTSL (0.58) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7328439 0.88 GNPAT (0.55) TACR1CTSLCTSBCTSSCTSK
SCHEMBL13324040 0.88 TACR1 (0.62) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7318249 0.87 ITGB3 (0.60) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7327056 0.87 ITGB3 (0.60) TACR1CTSLCTSBCTSSCTSK
SCHEMBL13739666 0.86 ACE (0.58) TACR1CTSLCTSBCTSSCTSK
SCHEMBL5689557 0.86 ACE (0.58) TACR1CTSLCTSBCTSSCTSK
SCHEMBL3037401 0.86 ACE (0.58) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272671-B1 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD (CH) 1994-03-16 EP disclosed
US-5158936-A Treating or prevention of tissue damage, inflammation, bone resporpption and muscular dystrophy SYNTEX (U.S.A.) INC. (US) 1992-10-27 US disclosed
US-5055451-A Prevent tissue damage SYNTEX INC. (US) 1991-10-08 US disclosed
EP-0272671-A2 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD. (CH) 1988-06-29 EP disclosed