SCHEMBL11298517

SCHEMBL11298517

CC(C)C[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccccc1N

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 6/20 0.50
▸ LNPEP Q9UIQ6 5/20 0.50
▸ ERAP1 Q9NZ08 4/20 0.50
▸ OPRK1 P41145 5/20 0.45
▸ OPRM1 P35372 3/20 0.45
▸ MMP3 P08254 3/20 0.43
▸ HDAC4 P56524 5/20 0.42
▸ MEF2D Q14814 5/20 0.42
▸ EP300 Q09472 1/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP9 P14780 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
SCHEMBL10652275 0.80 NMT2 (0.43) ERAP2LNPEPERAP1OPRK1OPRM1
SCHEMBL1711732 0.78 CPB2 (0.47) ERAP2LNPEPERAP1OPRK1OPRM1
SCHEMBL1711325 0.78 CPB2 (0.47) ERAP2LNPEPERAP1OPRK1OPRM1
SCHEMBL1711738 0.78 CPB2 (0.47) ERAP2LNPEPERAP1OPRK1OPRM1
SCHEMBL30284335 0.78 CPB2 (0.45) ERAP2LNPEPERAP1OPRK1OPRM1
SCHEMBL1711321 0.78 CPB2 (0.47) ERAP2LNPEPERAP1OPRK1OPRM1
SCHEMBL386663 0.78 PDF (0.61) ERAP2LNPEPERAP1OPRK1OPRM1
SCHEMBL547491 0.78 PDF (0.61) ERAP2LNPEPERAP1OPRK1OPRM1
SCHEMBL27750016 0.78 PDF (0.61) ERAP2LNPEPERAP1OPRK1OPRM1
Hydrochloric Acid SCHEMBL3482618 0.77 PDF (0.60) ERAP2LNPEPERAP1OPRK1OPRM1

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-0038357-A4 HYDROLYTIC ENZYME-ACTIVATIBLE PRO-DRUGS. UNIV ILLINOIS (US) 1982-03-22 — — EP disclosed
EP-0038357-A1 HYDROLYTIC ENZYME-ACTIVATIBLE PRO-DRUGS University of Illinois Foundation (US) 1981-10-28 — — EP disclosed
WO-1981001145-A1 HYDROLYTIC ENZYME-ACTIVATIBLE PRO-DRUGS UNIV ILLINOIS (US) 1981-04-30 — — WO disclosed
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