SCHEMBL13616746

SCHEMBL13616746

CC(C)n1c(=O)n(C(=O)NC2CC3CCC(C2)N3CCCO)c2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 12/20 0.63
TMEM97 Q5BJF2 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
HTR3A P46098 1/20 0.58

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
SCHEMBL8947433 0.87 HTR4 (0.73) HTR4TMEM97SIGMAR1HTR3A
SCHEMBL30428794 0.87 HTR4 (0.73) HTR4TMEM97SIGMAR1HTR3A
SCHEMBL30139058 0.87 HTR4 (0.73) HTR4TMEM97SIGMAR1HTR3A
SCHEMBL3096608 0.87 HTR4 (0.73) HTR4TMEM97SIGMAR1HTR3A
Hydrochloric Acid SCHEMBL7637431 0.86 HTR4 (0.72) HTR4TMEM97SIGMAR1HTR3A
Hydrochloric Acid SCHEMBL29384867 0.86 HTR4 (0.72) HTR4TMEM97SIGMAR1HTR3A
Hydrochloric Acid SCHEMBL10322633 0.86 HTR4 (0.72) HTR4TMEM97SIGMAR1HTR3A
Hydrochloric Acid SCHEMBL7634797 0.86 HTR4 (0.72) HTR4TMEM97SIGMAR1HTR3A
SCHEMBL3844694 0.84 HTR4 (0.56) HTR4TMEM97SIGMAR1HTR3A
SCHEMBL3772860 0.84 HTR4 (0.56) HTR4TMEM97SIGMAR1HTR3A

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
EP-1960396-B1 CARBAMATE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE INC (US) 2009-11-11 EP disclosed