SCHEMBL7346340

SCHEMBL7346340

CN1C2CCC1CC(NC(=O)N1C(=O)C(C)(C)c3ccccc31)C2

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
HTR3A P46098 1/20 0.48
HTR4 Q13639 1/20 0.48

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
SCHEMBL7346433 0.95 HTR3E (0.44) TMEM97SIGMAR1HTR3A
SCHEMBL7346437 0.95 HTR3E (0.44) TMEM97SIGMAR1HTR3A
SCHEMBL7352208 0.87 TMEM97 (0.47) TMEM97SIGMAR1HTR3AHTR4
SCHEMBL7347059 0.82 CHRM2 (0.38)
Ricasetron SCHEMBL20362251 0.80 NOTUM (0.52) TMEM97SIGMAR1HTR3AHTR4
Ricasetron SCHEMBL634826 0.80 NOTUM (0.52) TMEM97SIGMAR1HTR3AHTR4
Ricasetron SCHEMBL21715163 0.80 NOTUM (0.52) TMEM97SIGMAR1HTR3AHTR4
Ricasetron SCHEMBL634827 0.80 NOTUM (0.52) TMEM97SIGMAR1HTR3AHTR4
SCHEMBL7346200 0.79 LMNA (0.50) HTR3A
Ricasetron SCHEMBL7445859 0.79 NOTUM (0.51) TMEM97SIGMAR1HTR3AHTR4

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