SCHEMBL9580910

SCHEMBL9580910

CC(C)C[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)c1c(NC(F)(F)F)c(=O)oc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 10/20 0.37
▸ OPRM1 P35372 3/20 0.37
▸ PTGS2 P35354 1/20 0.35
▸ PSMB5 P28074 1/20 0.35
▸ PSMB2 P49721 1/20 0.35
▸ ERAP2 Q6P179 1/20 0.34
▸ ERAP1 Q9NZ08 1/20 0.34
▸ LNPEP Q9UIQ6 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAP1LC3B Q9GZQ8 1/20 0.33
▸ MAP1LC3A Q9H492 1/20 0.33
▸ REN P00797 1/20 0.33
▸ MMP3 P08254 2/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL3362259 0.85 OPRK1 (0.39) OPRK1OPRM1PTGS2PSMB5PSMB2
SCHEMBL3362251 0.85 OPRK1 (0.39) OPRK1OPRM1PTGS2PSMB5PSMB2
SCHEMBL3362223 0.75 SRC (0.37) OPRK1OPRM1PSMB5PSMB2ERAP2
SCHEMBL3362211 0.75 SRC (0.37) OPRK1OPRM1PSMB5PSMB2ERAP2
SCHEMBL3362254 0.74 PTGS2 (0.44) OPRK1OPRM1PTGS2PSMB5PSMB2
SCHEMBL5180148 0.73 TAS1R3 (0.40) OPRK1OPRM1REN
SCHEMBL11457194 0.72 ERAP2 (0.38) OPRK1OPRM1PSMB5PSMB2ERAP2
SCHEMBL11319976 0.69 REN (0.43) OPRK1OPRM1PSMB5ERAP2ERAP1
SCHEMBL11298517 0.69 ERAP2 (0.50) OPRK1OPRM1ERAP2ERAP1LNPEP
Hydrochloric Acid SCHEMBL11402893 0.68 REN (0.43) OPRK1OPRM1PSMB5ERAP2ERAP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567816-A1 Use of inhibitors of plasminogen activators for treating of inflammations and wounds BEHRINGWERKE Aktiengesellschaft (DE) 1993-11-03 — — EP disclosed
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