SCHEMBL7356597

SCHEMBL7356597

Nc1c(Cl)cc(C(=O)CCC2CCNCC2)c2c1OCCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 14/20 0.56
HTR2C P28335 3/20 0.54
HTR3A P46098 3/20 0.54
HTR3E A5X5Y0 2/20 0.54
HTR3B O95264 2/20 0.54
HTR3D Q70Z44 2/20 0.54
HTR3C Q8WXA8 2/20 0.54
ADRA2A P08913 2/20 0.54
HTR2A P28223 2/20 0.54
ADRA1A P35348 2/20 0.54
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
DRD2 P14416 1/20 0.54
ADRA2B P18089 1/20 0.54
CHRM3 P20309 1/20 0.54
ADRA1B P35368 1/20 0.54
ACHE P22303 7/20 0.48
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL6782033 0.81 HTR4 (0.73) HTR4HTR2CHTR3AHTR3EHTR3B
SCHEMBL506271 0.81 HTR4 (0.57) HTR4HTR3ACHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL7367857 0.80 HTR4 (0.72) HTR4HTR2CHTR3AHTR3EHTR3B
SCHEMBL16503998 0.79 HTR4 (0.72) HTR4HTR2CHTR3AHTR3EHTR3B
Hydrochloric Acid SCHEMBL7359161 0.78 HTR2C (0.72) HTR4HTR2CHTR3AHTR3EHTR3B
SCHEMBL4303903 0.77 HTR2C (0.65) HTR4HTR2CHTR3AHTR3EHTR3B
SCHEMBL7360030 0.77 HTR4 (0.69) HTR4ACHECYP2D6CYP2C9SIGMAR1
Sulamserod SCHEMBL1082638 0.75 CYP3A4 (0.66) HTR4HTR2CHTR3AHTR3EHTR3B
Sulamserod SCHEMBL29385909 0.75 CYP3A4 (0.66) HTR4HTR2CHTR3AHTR3EHTR3B
SCHEMBL7364991 0.74 HTR4 (0.43) HTR4HTR2CHTR3AHTR3EHTR3B

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-0700383-B1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX INC (US) 1998-09-23 EP disclosed
US-5763458-A NERVOUS SYSTEM DISORDERS, ANXIETY, ANTIDEPRESSANTS AND COGNITION ACTIVATORS SYNTEX (U.S.A.) INC. (US) 1998-06-09 US disclosed
EP-0700383-A1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1996-03-13 EP disclosed
WO-1994027965-A1 NOVEL 1-PHENYLALKANONE 5-HT4 RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1994-12-08 WO disclosed