SCHEMBL7346433

SCHEMBL7346433

CN1[C@@H]2CCC[C@H]1C[C@@H](NC(=O)N1C(=O)C(C)(C)c3ccccc31)C2

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.44
SLC22A2 O15244 1/20 0.44
HTR3B O95264 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
HTR3A P46098 1/20 0.44
KCNH2 Q12809 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
SLC47A1 Q96FL8 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL7346437 1.00 HTR3E (0.44) HTR3ESLC22A2HTR3BCHRNB2CHRNA3
SCHEMBL7346340 0.95 TMEM97 (0.48) HTR3ATMEM97SIGMAR1
SCHEMBL7347059 0.87 CHRM2 (0.38)
SCHEMBL7352208 0.83 TMEM97 (0.47) HTR3ATMEM97SIGMAR1
Ricasetron SCHEMBL634827 0.76 NOTUM (0.52) HTR3ATMEM97SIGMAR1
Ricasetron SCHEMBL634826 0.76 NOTUM (0.52) HTR3ATMEM97SIGMAR1
Ricasetron SCHEMBL21715163 0.76 NOTUM (0.52) HTR3ATMEM97SIGMAR1
Ricasetron SCHEMBL20362251 0.76 NOTUM (0.52) HTR3ATMEM97SIGMAR1
Ricasetron SCHEMBL7445859 0.75 NOTUM (0.51) HTR3ATMEM97SIGMAR1
SCHEMBL7346200 0.75 LMNA (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5399562-A 5-hydroxytryptamine agonists or antagonists; gastrointestinal disorders G. D. SEARLE & CO. (US) 1995-03-21 US disclosed