SCHEMBL7397303

SCHEMBL7397303

Cc1ccc(C(=O)NCCC23CCCN2CCC3)c2c1CCC(/C(=C/C(=O)O)C(=O)O)O2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR4 Q13639 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
HCN1 O60741 2/20 0.33
KCNH2 Q12809 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PARP1 P09874 1/20 0.31
GAA P10253 1/20 0.31
CHRNA7 P36544 1/20 0.30
HCN4 Q9Y3Q4 1/20 0.30

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
SCHEMBL7399966 0.86 HTR3E (0.41) HTR3EHTR3BHTR3AHTR4HTR3D
SCHEMBL7395588 0.84 HTR3E (0.44) HTR3EHTR3BHTR3AHTR4HTR3D
SCHEMBL7396628 0.83 HTR4 (0.65) HTR3EHTR3BHTR3AHTR4HTR3D
SCHEMBL7392392 0.81 HTR3A (0.49) HTR3EHTR3BHTR3AHTR4HTR3D
SCHEMBL7398975 0.81 HTR3E (0.42) HTR3EHTR3BHTR3AHTR4HTR3D
SCHEMBL7394948 0.78 HTR3E (0.60) HTR3EHTR3BHTR3AHTR4HTR3D
SCHEMBL7430400 0.70 PARP1 (0.51) HTR3EHTR3BHTR3AHTR4HTR3D
Fumaric Acid SCHEMBL7396244 0.70 HTR3E (0.61) HTR3EHTR3BHTR3AHTR4HTR3D
Fumaric Acid SCHEMBL7396248 0.70 HTR3E (0.61) HTR3EHTR3BHTR3AHTR4HTR3D
SCHEMBL7392520 0.69 HTR4 (0.55) HTR3EHTR3BHTR3AHTR4HTR3D

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
EP-0691341-A1 Benzopyrancarboxamide derivatives, salt thereof, process for the preparation of same and use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1996-01-10 EP disclosed