SCHEMBL28108261

SCHEMBL28108261

NC(=O)OC1(c2ccc(I)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ FPR2 P25090 3/20 0.33
▸ TPMT P51580 1/20 0.33
▸ AVPR2 P30518 1/20 0.32
▸ OXTR P30559 1/20 0.32
▸ AVPR1A P37288 1/20 0.32
▸ SLC22A2 O15244 1/20 0.31
▸ SLC22A1 O15245 1/20 0.31
▸ SLC22A3 O75751 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PTPN2 P17706 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ F2 P00734 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ PRSS2 P07478 1/20 0.31
▸ PRSS3 P35030 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL28755810 0.81 HDAC4 (0.41) —
SCHEMBL2720401 0.81 CA1 (0.37) CA1CA2FPR2
SCHEMBL5644519 0.81 OPRM1 (0.39) CA1CA2OPRM1TPMTPTPN2
SCHEMBL2572169 0.81 AKR1C1 (0.42) OPRM1
SCHEMBL17698403 0.76 ALDH1A1 (0.41) AVPR2AVPR1ALMNA
SCHEMBL15258670 0.76 MAPT (0.46) CA1CA2LMNA
SCHEMBL3813595 0.75 ALDH1A1 (0.36) CA1CA2FPR2LMNA
SCHEMBL3812202 0.75 HSD11B1 (0.43) —
SCHEMBL3816037 0.75 FFAR1 (0.41) CA1CA2LMNA
SCHEMBL28046111 0.75 OPRM1 (0.35) CA1CA2OPRM1FPR2

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
CN-106061977-B 1, 2-dihydro-3H-pyrrolo [1,2-C ] imidazol-3-one derivatives and their use as antibacterial agents 爱杜西亚药品有限公司 2018-10-26 — — CN disclosed
CN-106061977-A 1, 2-dihydro-3H-pyrrolo [1,2-C ] imidazol-3-one derivatives and their use as antibacterial agents 埃科特莱茵药品有限公司 2016-10-26 — — CN disclosed
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