SCHEMBL7365599

SCHEMBL7365599

Nc1c(Cl)cc(C(=O)O)c2c1CC(CCCN1CCCCC1)O2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 12/20 0.41
HTR3A P46098 3/20 0.39
HTR1A P08908 1/20 0.39
ADRA2C P18825 1/20 0.39
ACHE P22303 1/20 0.39
PTGS1 P23219 1/20 0.39
ADRA1A P35348 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTR2C P28335 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37

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 SCHEMBL7363354 0.99 HTR4 (0.40) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL7355305 0.94 HTR4 (0.39) HTR4HTR3AHTR1AADRA2CACHE
Hydrochloric Acid SCHEMBL7361122 0.93 HTR4 (0.39) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL7360909 0.79 HTR4 (0.52) HTR4HTR3AHTR1AADRA2CACHE
Hydrochloric Acid SCHEMBL6776355 0.79 HTR2C (0.53) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL7436836 0.77 MAOA (0.35) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL7432081 0.77 HTR4 (0.41) HTR4HTR3AHTR1AADRA2CACHE
Hydrochloric Acid SCHEMBL7361291 0.73 HTR2C (0.41) HTR4HTR3AADRA2CADRA1ACYP3A4
Hydrochloric Acid SCHEMBL7248497 0.73 HTR3A (0.53) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL7355302 0.72 TSHR (0.35) HTR4MEN1ALDH1A1KMT2A

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
WO-1996033186-A1 SUBSTITUTED DIHYDROBENZOFURAN DERIVATIVES AS 5-HT4 AGONISTS PHARMACIA & UPJOHN S.P.A. (IT) 1996-10-24 WO disclosed