SCHEMBL9866604

SCHEMBL9866604

CCC(NC(=O)c1cc(S(=O)(=O)CC)c(OC)c2c1OC(C)C2)C1CCCN1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.31
DRD3 P35462 2/20 0.31
LMNA P02545 1/20 0.31
ADRA2A P08913 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
HTR2A P28223 1/20 0.31
MAPK1 P28482 1/20 0.31
HTR7 P34969 1/20 0.31
HRH1 P35367 1/20 0.31
HTR2B P41595 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
BACE1 P56817 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
Hydrochloric Acid SCHEMBL9867941 0.99 BACE1 (0.31) DRD2DRD3BACE1
SCHEMBL10812508 0.83 PARP1 (0.32) BACE1
SCHEMBL10810689 0.82 CA1 (0.32) BACE1
SCHEMBL10805518 0.77 PARP1 (0.35)
Hydrochloric Acid SCHEMBL10807994 0.77 BRD4 (0.37) BACE1
SCHEMBL9868152 0.76 PARP1 (0.32)
SCHEMBL3314494 0.76 DRD2 (0.53) DRD2DRD3LMNAADRA2AALOX15
SCHEMBL21054909 0.76 DRD2 (0.53) DRD2DRD3LMNAADRA2AALOX15
SCHEMBL21055572 0.76 DRD2 (0.53) DRD2DRD3LMNAADRA2AALOX15
SCHEMBL9867849 0.76 PARP1 (0.37) DRD2DRD3LMNAADRA2AALOX15

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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