SCHEMBL9429631

SCHEMBL9429631

CN1C2CCC1CC(c1nc3ccccc3c(O)c1C(N)=O)C2

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 12/20 0.47
HTR3B O95264 12/20 0.47
HTR3A P46098 12/20 0.47
HTR3D Q70Z44 12/20 0.47
HTR3C Q8WXA8 12/20 0.47

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
SCHEMBL7444191 0.75 HTR3E (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30713425 0.70 DHODH (0.46)
SCHEMBL15491449 0.70 HSD17B10 (0.48)
SCHEMBL6924495 0.69 ACHE (0.49)
SCHEMBL8124347 0.68 GRM2 (0.48)
SCHEMBL3226084 0.68 DHODH (0.44)
SCHEMBL6647772 0.68 PARP1 (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6669896 0.67 DHODH (0.41)
SCHEMBL6672250 0.67 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15491436 0.67 DHODH (0.58)

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
US-5319085-A Antiemetic agents; anticarcinogenic agent-induced vomiting; antianxiolytic agents; psychological disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-06-07 US claimed
EP-0564650-A1 QUINOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-10-13 EP claimed