Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Cyclooctanamine SCHEMBL521739 | 0.89 | MMP8 (0.42) | — | |
| SCHEMBL520280 | 0.89 | MMP8 (0.42) | — | |
| Cyclohexylamine SCHEMBL27416385 | 0.89 | MMP8 (0.42) | — | |
| SCHEMBL521387 | 0.87 | SMYD3 (0.38) | — | |
| Cyclohexylamine SCHEMBL28160083 | 0.87 | MMP8 (0.41) | — | |
| Sulfuric Acid SCHEMBL28248625 | 0.86 | — | — | |
| SCHEMBL5068927 | 0.84 | TSHR (0.34) | — | |
| SCHEMBL31656940 | 0.83 | SMYD3 (0.40) | — | |
| SCHEMBL521531 | 0.81 | SMYD3 (0.42) | — | |
| SCHEMBL521457 | 0.81 | EPHX1 (0.40) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101541778-B | Thiophenecarboxamide derivatives as EP4 receptor ligands | MERCK FROSST CANADA LTD. (CA) | 2014-10-08 | — | — | CN | disclosed |
| CN-102015682-A | 3, 4-substituted piperidine derivatives as renin inhibitors | MERCK FROSST CANADA LTD | 2011-04-13 | — | — | CN | disclosed |
| WO-2010121382-A1 | PROCESS FOR MAKING INDOLE CYCLOPROPYL AMIDE DERIVATIVES | MERCK FROSST CANADA LTD. (CA) | 2010-10-28 | — | — | WO | disclosed |
| CN-101541778-A | Thiophenecarboxamide derivatives as EP4 receptor ligands | MERCK FROSST CANADA LTD (CA) | 2009-09-23 | — | — | CN | disclosed |