SCHEMBL9822683

SCHEMBL9822683

CCS(=O)(=O)c1cc2c(c(C(=O)NCC3CCCN3CC3CC3)c1)OCCC2

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
SLC6A4 P31645 1/20 0.51
DRD3 P35462 1/20 0.51
HTR2B P41595 1/20 0.51
KCNH2 Q12809 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51

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
Hydrochloric Acid SCHEMBL9868756 0.99 DRD2 (0.51) DRD2ADRA2BADRA2CSLC6A4DRD3
SCHEMBL9823019 0.93 DRD2 (0.48) DRD2
SCHEMBL9868987 0.90 DRD2 (0.51) DRD2ADRA2BADRA2CSLC6A4DRD3
SCHEMBL9822699 0.85 DRD2 (0.47) DRD2ADRA2BADRA2CSLC6A4DRD3
SCHEMBL10810631 0.85 CA2 (0.60) DRD2DRD3
SCHEMBL9822863 0.84 DRD2 (0.51) DRD2ADRA2BADRA2CSLC6A4DRD3
Hydrochloric Acid SCHEMBL9869184 0.83 DRD2 (0.51) DRD2ADRA2BADRA2CSLC6A4DRD3
SCHEMBL9868584 0.83 DRD2 (0.49) DRD2ADRA2BADRA2CDRD3HTR2B
SCHEMBL9866760 0.82 DRD2 (0.52) DRD2ADRA2BADRA2CDRD3HTR2B
SCHEMBL11366374 0.81 DRD2 (0.60) DRD2ADRA2BADRA2CSLC6A4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1062144-A The preparation method of benzodihydropyran carboxamide derivatives DELAGRANGE LAB (FR) 1992-06-24 CN claimed
EP-0231139-B1 DIHYDROBENZOFURANE AND CHROMANE CARBOXAMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS NEUROLEPTICS Laboratoires DELAGRANGE (FR) 1991-12-04 EP claimed
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 claimed
CN-87100978-A Dihydrobenzofuran-and chroman-carboxamide derivatives, processes for their preparation and their use as neuroleptics 1987-09-16 CN claimed
CN-1062144-A The preparation method of benzodihydropyran carboxamide derivatives DELAGRANGE LAB (FR) 1992-06-24 CN disclosed
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
CN-87100978-A Dihydrobenzofuran-and chroman-carboxamide derivatives, processes for their preparation and their use as neuroleptics 1987-09-16 CN disclosed