SCHEMBL7355305

SCHEMBL7355305

Nc1c(Cl)cc(C(=O)O)c2c1CC(CCN1CCCCC1)O2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 12/20 0.39
CYP3A4 P08684 2/20 0.37
GLA P06280 1/20 0.37
HTR3A P46098 2/20 0.36
HTR1A P08908 1/20 0.36
ADRA2C P18825 1/20 0.36
ACHE P22303 1/20 0.36
PTGS1 P23219 1/20 0.36
ADRA1A P35348 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 1/20 0.36

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 SCHEMBL7361122 0.99 HTR4 (0.39) HTR4CYP3A4GLAHTR3AHTR1A
SCHEMBL7365599 0.94 HTR4 (0.41) HTR4CYP3A4HTR3AHTR1AADRA2C
Hydrochloric Acid SCHEMBL7363354 0.93 HTR4 (0.40) HTR4CYP3A4HTR3AHTR1AADRA2C
SCHEMBL7436836 0.79 MAOA (0.35) HTR4CYP3A4HTR3AHTR1AADRA2C
SCHEMBL7432081 0.79 HTR4 (0.41) HTR4GLAHTR3AHTR1AADRA2C
SCHEMBL7360909 0.77 HTR4 (0.52) HTR4CYP3A4HTR3AHTR1AADRA2C
Hydrochloric Acid SCHEMBL6776355 0.76 HTR2C (0.53) HTR4CYP3A4HTR3AHTR1AADRA2C
Hydrochloric Acid SCHEMBL7361291 0.74 HTR2C (0.41) HTR4CYP3A4GLAHTR3AADRA2C
SCHEMBL7355302 0.74 TSHR (0.35) HTR4MEN1ALDH1A1KMT2A
SCHEMBL7365597 0.74 SLC6A4 (0.34) HTR4CYP3A4HTR3AHTR1AADRA2C

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