SCHEMBL11534837

SCHEMBL11534837

COc1cc(NC(C)=O)c(Cl)cc1C(=O)NN1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.54
DRD4 P21917 5/20 0.50
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50
ABCC8 Q09428 1/20 0.47
HTR4 Q13639 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.45

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 SCHEMBL11531081 0.99 AGER (0.53) AGERDRD4DRD2DRD3ABCC8
SCHEMBL11382460 0.89 AGER (0.55) AGERDRD4DRD2DRD3HPGD
SCHEMBL11381924 0.86 DRD4 (0.52) AGERDRD4DRD2DRD3HTR4
SCHEMBL11467361 0.83 SHMT2 (0.55) AGERDRD4DRD2DRD3ABCC8
SCHEMBL11385709 0.82 DRD4 (0.66) DRD4DRD2DRD3
SCHEMBL11382195 0.82 DRD4 (0.50) AGERDRD4DRD2DRD3HTR4
SCHEMBL11538644 0.81 HTR4 (0.66) HTR4
SCHEMBL20920574 0.79 AGER (0.62) AGERDRD4DRD2DRD3HPGD
SCHEMBL16607301 0.79 ALDH1A1 (0.64) AGERDRD4ABCC8HTR4
Hydrochloric Acid SCHEMBL11537009 0.78 DRD4 (0.53) AGERDRD4DRD2DRD3

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