SCHEMBL7382190

SCHEMBL7382190

O=C(O)CCNC(=O)[C@H](Cc1ccccc1)NC(Cc1ccccc1)C(=O)OCCOc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.48
▸ MME P08473 1/20 0.48
▸ FFAR1 O14842 3/20 0.46
▸ S1PR1 P21453 2/20 0.46
▸ MMEL1 Q495T6 1/20 0.46
▸ S1PR3 Q99500 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 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
SCHEMBL7379040 0.96 MMEL1 (0.53) ACEMMEFFAR1S1PR1MMEL1
SCHEMBL7379563 0.96 MMEL1 (0.53) ACEMMEFFAR1S1PR1MMEL1
SCHEMBL7383449 0.95 MMEL1 (0.54) MMEFFAR1MMEL1
SCHEMBL10645589 0.90 ACE (0.49) ACEMMEMMEL1
SCHEMBL10650216 0.86 MME (0.45) MMETAAR1MEN1KMT2A
SCHEMBL10651220 0.85 MMEL1 (0.56) ACEMMEFFAR1MMEL1
SCHEMBL7375696 0.84 ACE (0.53) ACEMMEMMEL1
SCHEMBL650610 0.80 ACE (0.59) ACEMMEMMEL1
SCHEMBL391211 0.80 ACE (0.59) ACEMMEMMEL1
SCHEMBL5603448 0.80 ACE (0.59) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0103077-B1 SUBSTITUTED DIPEPTIDES, METHODS FOR THEIR PRODUCTION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, METHOD FOR MAKING SUCH PHARMACEUTICAL COMPOSITIONS SCHERING CORPORATION (US) 1988-05-18 — — EP claimed
US-4906615-A Substituted dipeptides as inhibitors of enkephalinases SCHERING CORPORATION (US) 1990-03-06 — — US disclosed
EP-0103077-B1 SUBSTITUTED DIPEPTIDES, METHODS FOR THEIR PRODUCTION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, METHOD FOR MAKING SUCH PHARMACEUTICAL COMPOSITIONS SCHERING CORPORATION (US) 1988-05-18 — — EP 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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