SCHEMBL2540182

SCHEMBL2540182

CC(=O)N1CCN(CCN2[C@@H]3CC[C@H]2C[C@H](NC(=O)c2nn(C(C)C)c4ccc(F)cc24)C3)CC1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 19/20 0.79
HTR3A P46098 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
SCHEMBL23111159 0.94 HTR4 (0.69) HTR4HTR3A
SCHEMBL2542098 0.88 HTR4 (1.00) HTR4
SCHEMBL29941552 0.88 HTR4 (1.00) HTR4
SCHEMBL393401 0.88 HTR4 (1.00) HTR4
SCHEMBL2542097 0.88 HTR4 (1.00) HTR4
SCHEMBL30404126 0.88 HTR4 (1.00) HTR4
Bromide SCHEMBL2538713 0.88 HTR4 (0.98) HTR4
Hydrochloric Acid SCHEMBL2541046 0.88 HTR4 (0.98) HTR4
SCHEMBL23111201 0.87 HTR4 (0.69) HTR4HTR3A
SCHEMBL23111161 0.85 HTR4 (0.68) HTR4HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044045-B2 Indazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2011-10-25 US disclosed