SCHEMBL9196873

SCHEMBL9196873

CCN1C2CCC1CC(NC(=O)c1cc(C)cc3c1OC(C)(C)C3)C2

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 4/20 0.44
GAA P10253 2/20 0.40
SMYD3 Q9H7B4 1/20 0.40

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
SCHEMBL8939990 0.89 MEN1 (0.43) HTR4
SCHEMBL8940096 0.78 MEN1 (0.46) HTR4
Zatosetron SCHEMBL466401 0.77 HTR3A (0.51) HTR4
SCHEMBL8939935 0.77 HTR3A (0.46) HTR4
Zatosetron SCHEMBL466399 0.77 HTR3A (0.51) HTR4
SCHEMBL8939946 0.77 HTR4 (0.42) HTR4
Zatosetron SCHEMBL466400 0.77 HTR3A (0.51) HTR4
SCHEMBL8939947 0.77 L3MBTL1 (0.55)
SCHEMBL8940050 0.76 HTR4 (0.43) HTR4
SCHEMBL8940123 0.76 HTR4 (0.48) HTR4

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
EP-0307172-B1 Improvements in or relating to specific 5-HT3 antagonists LILLY CO ELI (US) 1995-10-11 EP disclosed
EP-0307172-A2 Improvements in or relating to specific 5-HT3 antagonists ELI LILLY AND COMPANY (US) 1989-03-15 EP disclosed