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.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 9/20 | 0.38 |
| ▸ | HTR2C known ✓ | P28335 | 3/20 | 0.38 |
| ▸ | HTR1A known ✓ | P08908 | 3/20 | 0.37 |
| ▸ | HTR1D known ✓ | P28221 | 3/20 | 0.37 |
| ▸ | HTR1B known ✓ | P28222 | 3/20 | 0.37 |
| ▸ | DRD2 known ✓ | P14416 | 8/20 | 0.36 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 3/20 | 0.38 |
| ▸ | HTR7 | P34969 | 8/20 | 0.36 |
| ▸ | HTR6 | P50406 | 6/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5739261 | 0.95 | HTR1A (0.40) | HTR2AHTR2CHTR2BHTR1AHTR1D | |
| SCHEMBL6401030 | 0.85 | HTR7 (0.52) | HTR2ADRD2HTR7HTR6 | |
| SCHEMBL5738682 | 0.81 | SIGMAR1 (0.38) | HTR2AHTR2CHTR2BHTR1AHTR1D | |
| SCHEMBL6400640 | 0.80 | HTR7 (0.52) | HTR2AHTR1ADRD2HTR7HTR6 | |
| SCHEMBL6398303 | 0.80 | HTR2A (0.49) | HTR2AHTR1ADRD2HTR7HTR6 | |
| SCHEMBL6399207 | 0.79 | HTR2A (0.50) | HTR2AHTR1ADRD2HTR7HTR6 | |
| SCHEMBL5772179 | 0.78 | HTR1A (0.42) | HTR2AHTR2CHTR2BHTR1AHTR1D | |
| SCHEMBL5738711 | 0.78 | MEN1 (0.39) | HTR1A | |
| SCHEMBL5738687 | 0.78 | HTR1A (0.41) | HTR2AHTR2CHTR2BHTR1AHTR1D | |
| SCHEMBL5784362 | 0.74 | HTR1A (0.31) | HTR2AHTR1ADRD2 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1697334-A1 | HETEROCYCLIC SUBSTITUTED INDANE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA | Warner-Lambert Company LLC (US) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005056540-A1 | HETEROCYCLIC SUBSTITUTED INDANE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA | WARNER-LAMBERT COMPANY LLC (US) | 2005-06-23 | — | — | WO | disclosed |