SCHEMBL7374116

SCHEMBL7374116

NCC1CN(CCCOc2ccc(Cl)cc2)CCO1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.52
▸ DRD4 P21917 3/20 0.52
▸ HRH3 Q9Y5N1 11/20 0.51
▸ EPHX2 P34913 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ DRD1 P21728 1/20 0.49
▸ DRD5 P21918 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ DRD3 P35462 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
SCHEMBL7364512 0.80 EPHX2 (0.53) SIGMAR1DRD4HRH3EPHX2
SCHEMBL19709002 0.78 SIGMAR1 (0.63) SIGMAR1HRH3HTR1ADRD2DRD1
SCHEMBL8327024 0.77 DRD4 (0.65) DRD4DRD2
SCHEMBL4228489 0.77 DRD4 (0.65) DRD4DRD2
Hydrochloric Acid SCHEMBL19691895 0.77 SIGMAR1 (0.64) SIGMAR1HRH3HTR1ADRD2DRD1
SCHEMBL2798324 0.75 DRD4 (0.58) SIGMAR1DRD4HRH3HTR1ADRD2
SCHEMBL13840028 0.75 DRD4 (0.52) DRD4DRD2
Hydrochloric Acid SCHEMBL30133733 0.74 HTR4 (0.36) SIGMAR1DRD4HRH3HTR1ADRD2
SCHEMBL4031016 0.72 SIGMAR1 (0.51) SIGMAR1DRD4
SCHEMBL21004110 0.72 SIGMAR1 (0.84) SIGMAR1HRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0243959-B1 SUBSTITUTED BENZAMIDE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1992-08-19 — — EP disclosed
US-4870074-A Substituted benzamide derivatives, for enhancing gastrointestinal motility DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-09-26 — — US disclosed
EP-0243959-A1 Substituted benzamide derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same Dainippon Pharmaceutical Co., Ltd. (JP) 1987-11-04 — — EP disclosed
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