SCHEMBL7375938

SCHEMBL7375938

C[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(Cc1ccc(-c2ccccc2)cc1)C(=O)OCOC(=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.42
ACE P12821 10/20 0.42
ACE2 Q9BYF1 10/20 0.42
CPA1 P15085 9/20 0.42
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MMEL1 Q495T6 2/20 0.38
ACACB O00763 1/20 0.38

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
SCHEMBL7377914 1.00 MME (0.42) MMEACEACE2CPA1CTSS
SCHEMBL7381309 0.99 MME (0.42) MMEACEACE2CPA1CTSS
SCHEMBL10647242 0.96 ALDH1A1 (0.41) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL7381805 0.96 ALDH1A1 (0.41) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL10648066 0.90 ALDH1A1 (0.41) MMEACEACE2CPA1CTSS
SCHEMBL10647590 0.88 MME (0.48) MMEACEACE2CPA1MMEL1
SCHEMBL11074641 0.88 MME (0.48) MMEACEACE2CPA1MMEL1
SCHEMBL10649781 0.86 MMP9 (0.44) CTSSCTSK
SCHEMBL7374671 0.86 REN (0.39) CTSSCTSKALDH1A1THRBCYP2C9
SCHEMBL7377272 0.84 MME (0.56) MMEACEACE2CPA1

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