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 | |
|---|---|---|---|---|
| SCHEMBL9822751 | 0.98 | ALDH1A1 (0.31) | — | |
| Methane SCHEMBL9867070 | 0.98 | ALDH1A1 (0.30) | — | |
| SCHEMBL9822902 | 0.88 | ALDH1A1 (0.31) | — | |
| SCHEMBL9868152 | 0.87 | PARP1 (0.32) | — | |
| SCHEMBL9822707 | 0.84 | TP53 (0.33) | — | |
| SCHEMBL9822880 | 0.81 | PARP1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL9869193 | 0.80 | PARP1 (0.32) | — | |
| SCHEMBL9822695 | 0.79 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL9866796 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL10807994 | 0.77 | BRD4 (0.37) | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5006570-A | Dihydrobenzofuran- and chroman-carboxamide derivatives, processes for the preparation thereof and use thereof as neuroleptics | LABORATOIRES DELAGRANGE (FR) | 1991-04-09 | — | — | US | disclosed |