SCHEMBL7435350

SCHEMBL7435350

CCCCCn1c(=O)cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 17/20 1.00
HTR3E A5X5Y0 16/20 1.00
HTR3B O95264 16/20 1.00
HTR3D Q70Z44 16/20 1.00
HTR3C Q8WXA8 16/20 1.00

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
SCHEMBL7436088 0.99 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7433224 0.97 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7443204 0.93 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7429427 0.90 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7442883 0.87 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7434079 0.86 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7444184 0.85 HTR3A (0.79) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL30036625 0.85 HTR3A (0.98) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7439281 0.85 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7435184 0.83 HTR3A (1.00) 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-B1 Antiemetic and migraine suppressing heterocyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO KK (JP) 1995-07-12 EP disclosed