SCHEMBL8708353

SCHEMBL8708353

CC(C)C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)NCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IL1RN P18510 1/20 0.55
▸ ERAP2 Q6P179 1/20 0.55
▸ OPRD1 P41143 4/20 0.53
▸ OPRM1 P35372 2/20 0.53
▸ EPHX2 P34913 1/20 0.52
▸ CCKBR P32239 2/20 0.52
▸ MMP2 P08253 1/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ MMP8 P22894 1/20 0.51
▸ NPBWR1 P48145 6/20 0.50
▸ CCKAR P32238 1/20 0.49
▸ KISS1R Q969F8 3/20 0.49
▸ PLG P00747 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
SCHEMBL31332432 0.85 IL1RN (0.56) IL1RNERAP2OPRD1OPRM1CCKBR
SCHEMBL29822635 0.78 ERAP2 (0.74) IL1RNERAP2OPRD1OPRM1KISS1R
SCHEMBL30669510 0.77 EPHX2 (0.61) EPHX2
SCHEMBL30845362 0.76 ERAP2 (0.71) IL1RNERAP2OPRD1OPRM1
SCHEMBL29593980 0.76 OPRD1 (0.68) OPRD1OPRM1CCKBRNPBWR1CCKAR
SCHEMBL25627229 0.76 ECE1 (0.63) IL1RNERAP2KISS1R
SCHEMBL29993798 0.76 OPRD1 (0.65) IL1RNERAP2OPRD1OPRM1CCKBR
SCHEMBL28544119 0.75 IL1RN (0.64) IL1RNERAP2OPRD1OPRM1CCKBR
SCHEMBL28544120 0.75 IL1RN (0.64) IL1RNERAP2OPRD1OPRM1CCKBR
SCHEMBL15692405 0.74 ECE1 (0.71) IL1RNERAP2

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
EP-0552489-B1 Peptide, production and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-03-04 — — EP disclosed
US-5614497-A TREATMENT OF HYPERTENSION, CARDIOVASCULAR DISEASE AND RENAL DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-03-25 — — US disclosed
EP-0552489-A2 Peptide, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 — — EP disclosed
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