SCHEMBL9636716

SCHEMBL9636716

CC[C@H](C)[C@@H]([C]=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.47
OPRM1 P35372 2/20 0.47
OPRD1 P41143 2/20 0.47
OPRK1 P41145 1/20 0.46
F2 P00734 2/20 0.44
BACE1 P56817 1/20 0.43
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
NTSR2 O95665 1/20 0.42
NTSR1 P30989 1/20 0.42
FURIN P09958 1/20 0.42

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
SCHEMBL9637155 1.00 MMP2 (0.47) MMP2OPRM1OPRD1OPRK1F2
SCHEMBL9636709 1.00 MMP2 (0.47) MMP2OPRM1OPRD1OPRK1F2
SCHEMBL9637159 1.00 MMP2 (0.47) MMP2OPRM1OPRD1OPRK1F2
SCHEMBL30799335 0.85 MMP2 (0.55) MMP2OPRM1OPRD1OPRK1BACE1
SCHEMBL9636717 0.85 MMP2 (0.47) MMP2OPRM1OPRD1OPRK1F2
SCHEMBL9637291 0.85 DPP8 (0.46)
SCHEMBL9637284 0.85 DPP8 (0.46)
SCHEMBL2184328 0.84 MME (0.47) BACE1MMEACECPA1ACE2
SCHEMBL9638023 0.84 CTSC (0.50) OPRM1OPRD1OPRK1MMEACE
SCHEMBL9638027 0.84 CTSC (0.50) OPRM1OPRD1OPRK1MMEACE

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-0268678-B1 NOVEL 5-FLUOROURIDINE COMPOUNDS AND PROCESS FOR THEIR PREPARATION FUJI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-07-29 EP claimed
US-4892939-A ANTITUMOR, ANTIVIRAL AND IMMUNOSUPRESSIVE AGENTS FUJI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-01-09 US claimed