SCHEMBL7276197

SCHEMBL7276197

O=C(NC1CCN2CCCC1C2)c1cccc2c1CCCC2

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.49
HTR3B O95264 3/20 0.49
HTR3A P46098 3/20 0.49
HTR3D Q70Z44 3/20 0.49
HTR3C Q8WXA8 3/20 0.49
NPSR1 Q6W5P4 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
SCHEMBL7279707 0.98 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9443124 0.87
SCHEMBL1160143 0.87
SCHEMBL1159851 0.87
SCHEMBL7270865 0.86
SCHEMBL9443039 0.85 HTR3A (0.53) HTR3A
SCHEMBL7270771 0.85 HTR3A (0.53) HTR3A
SCHEMBL7278139 0.85 HTR3A (0.53) HTR3A
SCHEMBL7441918 0.81 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7361204 0.73 HTR3A (0.55) 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 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