SCHEMBL7270946

SCHEMBL7270946

CN1C2CCCC1CC(NC(=O)c1cccc3c1CCCC3)C2

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 14/20 0.55
KCNH2 Q12809 3/20 0.54
CYP3A4 P08684 1/20 0.50

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
SCHEMBL7270942 1.00 HTR3A (0.55) HTR3AKCNH2CYP3A4
SCHEMBL9443220 1.00 HTR3A (0.55) HTR3AKCNH2CYP3A4
SCHEMBL7280117 0.99 HTR3A (0.54) HTR3AKCNH2CYP3A4
SCHEMBL7280110 0.99 HTR3A (0.54) HTR3AKCNH2CYP3A4
SCHEMBL7270924 0.98 HTR3A (0.55) HTR3AKCNH2CYP3A4
SCHEMBL7270920 0.98 HTR3A (0.55) HTR3AKCNH2CYP3A4
SCHEMBL7270849 0.96 HTR3A (0.51) HTR3AKCNH2
SCHEMBL7269216 0.96 HTR3A (0.51) HTR3AKCNH2
SCHEMBL7270520 0.96 HTR3A (0.51) HTR3AKCNH2
SCHEMBL7276361 0.94 HTR3A (0.51) HTR3AKCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0430190-B1 New tricyclic compounds SYNTEX INC (US) 1995-07-05 EP disclosed
US-5202333-A Tricyclic 5-HT3 receptor antagonists SYNTEX (U.S.A.) INC. (US) 1993-04-13 US disclosed
EP-0430190-A2 New tricyclic compounds SYNTEX (U.S.A.) INC. (US) 1991-06-05 EP disclosed