SCHEMBL7434788

SCHEMBL7434788

CCCn1c(=O)c(C2CC3CCC(C2)N3C)c(C(=O)O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 14/20 0.52
HTR3E A5X5Y0 9/20 0.52
HTR3B O95264 9/20 0.52
HTR3D Q70Z44 9/20 0.52
HTR3C Q8WXA8 9/20 0.52
KDM4E B2RXH2 3/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL7432574 0.94 HTR3A (0.60) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7430512 0.93 HTR3E (0.56) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7484945 0.85 HTR3A (0.47) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7443724 0.82 HTR3A (0.50) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9583246 0.75 KDM4E (0.40) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7444191 0.71 HTR3E (0.45) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7439911 0.70 HTR3A (0.68) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7438581 0.70 HTR3E (0.85) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7435237 0.69 HTR3A (0.78) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9680491 0.69 HTR3A (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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