SCHEMBL11538644

SCHEMBL11538644

COc1cc(N)c(Cl)cc1C(=O)NN1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 8/20 0.66
GAA P10253 1/20 0.58
GLA P06280 1/20 0.58
CYP3A4 P08684 1/20 0.58
HTR3A P46098 1/20 0.56

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
SCHEMBL11380863 0.89 HTR4 (0.57) HTR4GAAHTR3A
SCHEMBL11379701 0.89 HTR4 (0.58) HTR4GAAHTR3A
Bromomethane SCHEMBL11381329 0.86 HTR4 (0.56) HTR4GAAHTR3A
SCHEMBL11376674 0.85 HTR4 (0.69) HTR4
SCHEMBL11383625 0.85 GAA (0.53) HTR4GAAHTR3A
Hydrochloric Acid SCHEMBL534943 0.85 MAPK1 (0.58) HTR4HTR3A
SCHEMBL11382294 0.83 HTR4 (0.62) HTR4
SCHEMBL11380906 0.83 HTR4 (0.64) HTR4CYP3A4HTR3A
SCHEMBL11376509 0.82 HTR4 (0.67) HTR4
SCHEMBL11534837 0.81 AGER (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4138492-A FOR TREATMENT OF GASTROINTESTINAL DISORDERS ANPHAR, S.A. (ES) 1979-02-06 US disclosed