SCHEMBL7323587

SCHEMBL7323587

CCCCN1CCC(COC(=O)c2cc(Cl)cc3c4c(oc23)CCCC4)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 10/20 0.53
HTR2C P28335 4/20 0.53
HTR3A P46098 3/20 0.53
ADRA2C P18825 3/20 0.53
HTR1D P28221 3/20 0.53
ADRA1A P35348 3/20 0.53
HTR2B P41595 3/20 0.53
ADRA2A P08913 2/20 0.53
HTR2A P28223 2/20 0.53
ADRA2B P18089 2/20 0.53
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53
HTR1A P08908 1/20 0.53
CHRM5 P08912 1/20 0.53
CHRM3 P20309 1/20 0.53
DRD5 P21918 1/20 0.53
SLC6A2 P23975 1/20 0.53
ADRA1D P25100 1/20 0.53
HTR1B P28222 1/20 0.53
HTR1E P28566 1/20 0.53

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
SCHEMBL7328044 0.78 HTR4 (0.56) HTR4HTR2CHTR3AADRA2CHTR1D
SCHEMBL7423609 0.76 HTR4 (0.66) HTR4HTR2CHTR3AADRA2CHTR1D
SCHEMBL7332753 0.75 HTR4 (0.53) HTR4HTR2CHTR3AADRA2CHTR1D
SCHEMBL7399774 0.74 HTR4 (0.65) HTR4HTR2CHTR3AADRA2CHTR1D
Hydrochloric Acid SCHEMBL7248493 0.74 HTR2C (0.79) HTR4HTR2CHTR3AADRA2CHTR1D
SCHEMBL7436602 0.73 HTR4 (0.59) HTR4HTR2CHTR3AADRA2CHTR1D
SCHEMBL7404030 0.72 HTR4 (0.60) HTR4HTR2CHTR3AADRA2CHTR1D
SCHEMBL7360905 0.72 HTR4 (0.81) HTR4HTR2CHTR3AADRA2CHTR1D
Hydrochloric Acid SCHEMBL6776352 0.71 HTR2C (0.82) HTR4HTR2CHTR3AADRA2CHTR1D
SCHEMBL7325561 0.71 HTR4 (0.62) HTR4HTR2CHTR3AADRA2CHTR1D

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0664806-A1 HETEROCYCLIC CONDENSED BENZOIC ACID DERIVATIVES AS 5-HT 4? RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-08-02 EP claimed
WO-1994008995-A1 HETEROCYCLIC CONDENSED BENZOIC ACID DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-04-28 WO claimed