SCHEMBL7301145

SCHEMBL7301145

Cc1cccc2c(C(=O)OC3CC4CCC(C3)N4C)cnn12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 11/20 0.54
HTR3E A5X5Y0 7/20 0.54
HTR3B O95264 7/20 0.54
HTR3D Q70Z44 7/20 0.54
HTR3C Q8WXA8 7/20 0.54
CHRNA7 P36544 2/20 0.53
CHRNA1 P02708 1/20 0.51
CHRNG P07510 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTR1A P08908 1/20 0.51
CHRM5 P08912 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRNB1 P11230 1/20 0.51
CHRNB2 P17787 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
CHRM3 P20309 1/20 0.51
CHRNB4 P30926 1/20 0.51

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
SCHEMBL7301141 1.00 HTR3A (0.54) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7313155 0.81 HTR3A (0.56) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7313162 0.81 HTR3A (0.56) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7299699 0.79 ALDH1A1 (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7305977 0.78 HTR3A (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7305981 0.78 HTR3A (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7307642 0.77 HTR3E (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7307637 0.77 HTR3E (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7309618 0.77 MGLL (0.35) SMN1; SMN2
SCHEMBL7309632 0.77 MGLL (0.35) SMN1; SMN2

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
US-5200415-A Serotonin receptor antagonists; antiemetics, antianxietics ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1993-04-06 US claimed
EP-0483836-A1 Pyrazolo [1,5-a] pyridine-3-carboxylic acid derivatives, their preparation process and their use ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1992-05-06 EP claimed
US-5200415-A Serotonin receptor antagonists; antiemetics, antianxietics ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1993-04-06 US disclosed
EP-0483836-A1 Pyrazolo [1,5-a] pyridine-3-carboxylic acid derivatives, their preparation process and their use ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1992-05-06 EP disclosed