SCHEMBL7365597

SCHEMBL7365597

CCC(C1Cc2c(N)c(Cl)cc(C(=O)O)c2O1)N1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
SLC6A2 P23975 2/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
HSD11B1 P28845 1/20 0.33
HTR4 Q13639 5/20 0.32
HTR3A P46098 3/20 0.32
HTR3E A5X5Y0 2/20 0.32
HTR3B O95264 2/20 0.32
HTR3D Q70Z44 2/20 0.32
HTR3C Q8WXA8 2/20 0.32
HTR1A P08908 1/20 0.32
ADRA2C P18825 1/20 0.32
ACHE P22303 1/20 0.32
PTGS1 P23219 1/20 0.32
ADRA1A P35348 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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 SCHEMBL7363350 0.99 SLC6A4 (0.34) SLC6A4SLC6A3SLC6A2POLBTSHR
SCHEMBL7355302 0.86 TSHR (0.35) POLBTSHRHSD11B1HTR4
Hydrochloric Acid SCHEMBL7365195 0.84 TSHR (0.34) POLBTSHRHSD11B1HTR4
SCHEMBL7436836 0.74 MAOA (0.35) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL7355305 0.74 HTR4 (0.39) HTR4HTR3AHTR1AADRA2CACHE
Hydrochloric Acid SCHEMBL7361122 0.73 HTR4 (0.39) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL7430275 0.72 PARP1 (0.49) HSD11B1
SCHEMBL7365599 0.72 HTR4 (0.41) HTR4HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL7363354 0.71 HTR4 (0.40) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL7360909 0.67 HTR4 (0.52) SLC6A4SLC6A3SLC6A2TSHRHTR4

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