SCHEMBL11011268

SCHEMBL11011268

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 5/20 0.38
▸ OPRM1 P35372 3/20 0.38
▸ FURIN P09958 1/20 0.38
▸ PCSK6 P29122 1/20 0.38
▸ NMT2 O60551 1/20 0.37
▸ NMT1 P30419 1/20 0.37
▸ DPP4 P27487 2/20 0.36
▸ DPP8 Q6V1X1 2/20 0.36
▸ DPP9 Q86TI2 2/20 0.36
▸ DPP7 Q9UHL4 2/20 0.36
▸ CTSS P25774 2/20 0.36
▸ PSMB5 P28074 1/20 0.35
▸ PSMB2 P49721 1/20 0.35
▸ CPB2 Q96IY4 2/20 0.35
▸ ERAP2 Q6P179 2/20 0.34
▸ ERAP1 Q9NZ08 2/20 0.34
▸ LNPEP Q9UIQ6 2/20 0.34
▸ FAP Q12884 1/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ PLG P00747 1/20 0.34

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
SCHEMBL27584125 1.00 OPRK1 (0.38) OPRK1OPRM1FURINPCSK6NMT2
SCHEMBL11011274 1.00 OPRK1 (0.38) OPRK1OPRM1FURINPCSK6NMT2
SCHEMBL2183030 0.90 NMT2 (0.38) OPRK1OPRM1FURINPCSK6NMT2
SCHEMBL27584151 0.90 NMT2 (0.38) OPRK1OPRM1FURINPCSK6NMT2
SCHEMBL28761909 0.86 NPY4R (0.43) OPRK1FURINPCSK6NMT2NMT1
SCHEMBL2191184 0.84 DPP8 (0.43) OPRK1FURINPCSK6NMT2NMT1
SCHEMBL2183569 0.84 DPP8 (0.43) OPRK1FURINPCSK6NMT2NMT1
SCHEMBL2196706 0.84 DPP8 (0.43) OPRK1FURINPCSK6NMT2NMT1
SCHEMBL1711321 0.83 CPB2 (0.47) OPRK1OPRM1FURINPCSK6CPB2
SCHEMBL1711325 0.83 CPB2 (0.47) OPRK1OPRM1FURINPCSK6CPB2

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
US-4505852-A 7-Amino-4-trifluoromethylquinolone derived substrates and method for determining enzymes and inhibitors ENZYME SYSTEMS PRODUCTS (US) 1985-03-19 — — US claimed
US-4505852-A 7-Amino-4-trifluoromethylquinolone derived substrates and method for determining enzymes and inhibitors ENZYME SYSTEMS PRODUCTS (US) 1985-03-19 — — US disclosed
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