SCHEMBL7375696

SCHEMBL7375696

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.53
▸ MME P08473 2/20 0.53
▸ ECE1 P42892 1/20 0.53
▸ CTSL P07711 1/20 0.50
▸ CTSB P07858 1/20 0.50
▸ CTSS P25774 1/20 0.50
▸ CTSK P43235 1/20 0.50
▸ MMEL1 Q495T6 1/20 0.50
▸ HTT P42858 1/20 0.49

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
SCHEMBL9069505 0.90 HTT (0.54) HTT
SCHEMBL10645589 0.85 ACE (0.49) ACEMMEECE1MMEL1
SCHEMBL650610 0.85 ACE (0.59) ACEMMEMMEL1
SCHEMBL391211 0.85 ACE (0.59) ACEMMEMMEL1
SCHEMBL5603448 0.85 ACE (0.59) ACEMMEMMEL1
SCHEMBL10420650 0.85 TACR1 (0.57) ACECTSLCTSBCTSSCTSK
SCHEMBL7382190 0.84 ACE (0.48) ACEMMEMMEL1
SCHEMBL7383950 0.84 ACE (0.48) ACEMMEECE1MMEL1
SCHEMBL9069258 0.84 CTSS (0.52) ACEMMECTSLCTSBCTSS
SCHEMBL10651220 0.83 MMEL1 (0.56) ACEMMEMMEL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4906615-A Substituted dipeptides as inhibitors of enkephalinases SCHERING CORPORATION (US) 1990-03-06 — — US disclosed
US-4721726-A ANALGESICS SCHERING CORPORATION (US) 1988-01-26 — — US disclosed
US-4610816-A ANALGESICS SCHERING CORPORATION (US) 1986-09-09 — — US disclosed
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