SCHEMBL9199760

SCHEMBL9199760

CN1C2CCC1CC(NC(=O)c1cnc3ccccc3c1O)C2

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 10/20 0.58
HTR3E A5X5Y0 7/20 0.58
HTR3B O95264 7/20 0.58
HTR3D Q70Z44 7/20 0.58
HTR3C Q8WXA8 7/20 0.58
ALDH1A1 P00352 1/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL9429391 0.88 HTR3A (0.57) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7284925 0.80 MEN1 (0.46) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9199909 0.80 HTR3E (0.61) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7435030 0.80 HTR3A (0.72) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL5248712 0.74 ALDH1A1 (0.57) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL5250711 0.74 ALDH1A1 (0.63) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9059703 0.74 CHRNA7 (0.53) HTR3A
SCHEMBL13186221 0.73 HTR3A (0.85) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL3533984 0.73 GAA (0.68) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL29406314 0.73 HTR3A (0.63) HTR3AHTR3EHTR3BHTR3DHTR3C

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564650-B1 QUINOLINE DERIVATIVE KYOWA HAKKO KOGYO KK (JP) 1995-09-20 EP claimed
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
EP-0564650-B1 QUINOLINE DERIVATIVE KYOWA HAKKO KOGYO KK (JP) 1995-09-20 EP disclosed
US-5319085-A Antiemetic agents; anticarcinogenic agent-induced vomiting; antianxiolytic agents; psychological disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-06-07 US disclosed
EP-0564650-A1 QUINOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-10-13 EP disclosed