SCHEMBL7367850

SCHEMBL7367850

O=C(NCC1CCN(CCCCCc2ccccc2)CC1)c1c2n(c3ccccc13)CCCO2

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 18/20 0.82
CHRM2 P08172 1/20 0.76
ADRA2B P18089 1/20 0.76
HRH2 P25021 1/20 0.76
HTR1D P28221 1/20 0.76
HTR2A P28223 1/20 0.76
HRH1 P35367 1/20 0.76
HTR2B P41595 1/20 0.76
HTR3A P46098 1/20 0.76
SIGMAR1 Q99720 1/20 0.76

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
SCHEMBL8286732 0.89 HTR4 (1.00) HTR4CHRM2ADRA2BHRH2HTR1D
Piboserod SCHEMBL467339 0.88 HTR4 (1.00) HTR4CHRM2ADRA2BHRH2HTR1D
Piboserod SCHEMBL30234609 0.88 HTR4 (1.00) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL7398429 0.87 HTR4 (0.88) HTR4
Piboserod SCHEMBL2228911 0.87 HTR4 (0.98) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL8287825 0.86 HTR4 (1.00) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL7365338 0.86 HTR4 (0.82) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL8421844 0.86 HTR4 (0.79) HTR4CHRM2ADRA2BHRH2HTR1D
Oxalic Acid SCHEMBL7330235 0.86 HTR4 (0.85) HTR4
SCHEMBL7374980 0.84 HTR4 (0.78) 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
EP-0667867-A1 PIPERIDINE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-08-23 EP claimed
WO-1994010174-A1 PIPERIDINE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-05-11 WO claimed
US-5705498-A Piperidine derivatives as 5-HT4 receptor antagonists SMITHKLINE BEECHAM PLC. (GB) 1998-01-06 US disclosed
WO-1994010174-A1 PIPERIDINE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-05-11 WO disclosed