SCHEMBL2538722

SCHEMBL2538722

CC(C)n1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)N3)c2cc(F)ccc21

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 16/20 0.74
▸ HTR3A P46098 4/20 0.47

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
SCHEMBL2261477 0.85 HTR4 (1.00) HTR4
SCHEMBL8039331 0.85 HTR4 (1.00) HTR4
SCHEMBL12227452 0.85 HTR4 (1.00) HTR4
Trifluoroacetic Acid SCHEMBL2261833 0.82 HTR4 (0.88) HTR4
SCHEMBL2537523 0.82 HTR4 (0.62) HTR4HTR3A
SCHEMBL8717474 0.80 HTR4 (0.63) HTR4HTR3A
SCHEMBL8717486 0.80 HTR4 (0.63) HTR4HTR3A
SCHEMBL2538008 0.80 HTR4 (0.60) HTR4HTR3A
SCHEMBL2079397 0.78 HTR4 (0.46) HTR4HTR3A
SCHEMBL8248204 0.78 HTR4 (0.46) 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
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