SCHEMBL7444191

SCHEMBL7444191

CN1C2CCC1CC(c1c(O)nc3ccccc3c1C(=O)O)C2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 10/20 0.45
HTR3B O95264 10/20 0.45
HTR3A P46098 10/20 0.45
HTR3D Q70Z44 10/20 0.45
HTR3C Q8WXA8 10/20 0.45
PDE10A Q9Y233 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR4 Q13639 1/20 0.41
CHRNA7 P36544 1/20 0.40

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
SCHEMBL7484945 0.76 HTR3A (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9429631 0.75 HTR3E (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7443724 0.73 HTR3A (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7434788 0.71 HTR3A (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6672250 0.70 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7432574 0.70 HTR3A (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7430512 0.69 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10467326 0.69 DHODH (0.59) PDE10AALDH1A1TSHRHSD17B10
SCHEMBL7973793 0.69 HTR3E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7973796 0.69 HTR3E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C

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-5248684-A CERTAIN 2-OXO-QUINOLINE CARBOXYLATES OR CORRESPONDING CARBOXAMIDES USEFUL AS ANTI-EMETICS AND SUPPRESSANTS OF MIGRAINE KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-09-28 US disclosed
EP-0458636-A1 Antiemetic and migraine suppressing heterocyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD (JP) 1991-11-27 EP disclosed