SCHEMBL7270849

SCHEMBL7270849

CN1[C@@H]2CC[C@H]1C[C@H](NC(=O)c1cccc3c1CCCC3)C2

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 9/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KCNH2 Q12809 1/20 0.50
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49

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
SCHEMBL7270520 1.00 HTR3A (0.51) HTR3AMEN1KMT2AKCNH2HTR3E
SCHEMBL7269216 1.00 HTR3A (0.51) HTR3AMEN1KMT2AKCNH2HTR3E
SCHEMBL7269268 0.98 HTR3A (0.51) HTR3AMEN1KMT2AKCNH2HTR3E
SCHEMBL7276361 0.98 HTR3A (0.51) HTR3AMEN1KMT2AKCNH2HTR3E
SCHEMBL7269263 0.98 HTR3A (0.51) HTR3AMEN1KMT2AKCNH2HTR3E
SCHEMBL9443220 0.96 HTR3A (0.55) HTR3AKCNH2
SCHEMBL7270946 0.96 HTR3A (0.55) HTR3AKCNH2
SCHEMBL7270942 0.96 HTR3A (0.55) HTR3AKCNH2
SCHEMBL7280117 0.95 HTR3A (0.54) HTR3AKCNH2
SCHEMBL7280110 0.95 HTR3A (0.54) 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