SCHEMBL7328741

SCHEMBL7328741

CS(=O)(=O)NCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 18/20 0.75
CHRM2 P08172 1/20 0.69
ADRA2B P18089 1/20 0.69
HRH2 P25021 1/20 0.69
HTR1D P28221 1/20 0.69
HTR2A P28223 1/20 0.69
HRH1 P35367 1/20 0.69
HTR2B P41595 1/20 0.69
HTR3A P46098 1/20 0.69
SIGMAR1 Q99720 1/20 0.69

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
SCHEMBL7365338 0.86 HTR4 (0.82) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL16504001 0.86 HTR4 (0.56) HTR4CHRM2ADRA2BHRH2HTR1D
Piboserod SCHEMBL467339 0.86 HTR4 (1.00) HTR4CHRM2ADRA2BHRH2HTR1D
Piboserod SCHEMBL30234609 0.86 HTR4 (1.00) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL6909544 0.86 HTR4 (1.00) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL7333331 0.85 HTR4 (0.82) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL8423110 0.85 HTR4 (0.79) HTR4CHRM2ADRA2BHRH2HTR1D
Piboserod SCHEMBL2228911 0.85 HTR4 (0.98) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL7374980 0.84 HTR4 (0.78) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL8286732 0.83 HTR4 (1.00) HTR4CHRM2ADRA2BHRH2HTR1D

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998409-A GASTROINTESTINAL DISORDERS; CARDIOVASCULAR DISORDERS; NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM PLC (GB) 1999-12-07 US disclosed
EP-0630376-B1 CONDENSED INDOLE DERIVATIVES AS 5-HT4-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-06-02 EP disclosed
EP-0630376-A1 CONDENSED INDOLE DERIVATIVES AS 5HT 4?-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-12-28 EP disclosed
WO-1993018036-A1 CONDENSED INDOLE DERIVATIVES AS 5HT4-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-09-16 WO disclosed