SCHEMBL11534833

SCHEMBL11534833

COc1cc(NC(C)=O)c(Cl)cc1C(=O)NC1CCNCC1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 11/20 0.70
HTR4 Q13639 4/20 0.70
ABCC8 Q09428 1/20 0.52
AGER Q15109 1/20 0.52
DRD3 P35462 2/20 0.51
DRD2 P14416 1/20 0.51
HTR3A P46098 1/20 0.49
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL11531075 0.99 DRD4 (0.69) DRD4HTR4ABCC8AGERDRD3
SCHEMBL16607301 0.88 ALDH1A1 (0.64) DRD4HTR4ABCC8AGERALDH1A1
SCHEMBL9021757 0.84 HTR4 (0.71) DRD4HTR4ABCC8AGERDRD3
SCHEMBL9021711 0.83 HTR4 (0.66) DRD4HTR4ABCC8AGER
SCHEMBL593226 0.82 HTR4 (1.00) DRD4HTR4DRD3DRD2HTR3A
SCHEMBL10486827 0.82 DRD4 (0.55) DRD4HTR4DRD3DRD2
Hydrochloric Acid SCHEMBL534945 0.81 HTR4 (0.98) DRD4HTR4DRD3DRD2HTR3A
SCHEMBL9021909 0.81 HTR4 (0.72) DRD4HTR4
SCHEMBL10486822 0.81 HTR4 (0.73) DRD4HTR4DRD3DRD2
SCHEMBL9022207 0.81 HTR4 (0.59) DRD4HTR4AGERDRD3DRD2

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