SCHEMBL7366368

SCHEMBL7366368

COc1cc(N)c(Cl)cc1C(=O)NCCC1CN(Cc2ccccc2)CCO1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.66
DRD3 P35462 6/20 0.66
DRD2 P14416 6/20 0.66
CYP3A4 P08684 3/20 0.63
CYP1A2 P05177 2/20 0.63
ADRA2A P08913 2/20 0.63
CYP2C9 P11712 2/20 0.63
ADRA2B P18089 2/20 0.63
HTR2C P28335 2/20 0.63
HTR2B P41595 2/20 0.63
KCNH2 Q12809 2/20 0.63
ACHE P22303 2/20 0.63
CYP2D6 P10635 1/20 0.63
ADRA2C P18825 1/20 0.63
SLC6A2 P23975 1/20 0.63
HTR2A P28223 1/20 0.63
ADRA1A P35348 1/20 0.63
OPRK1 P41145 1/20 0.63
CHRNA4 P43681 1/20 0.63
HTR3A P46098 1/20 0.63

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
SCHEMBL7368169 0.95 DRD4 (0.64) DRD4DRD3DRD2CYP3A4CYP1A2
SCHEMBL7371801 0.92 DRD3 (0.72) DRD4DRD3DRD2CYP3A4CYP1A2
SCHEMBL1502026 0.91 DRD4 (0.73) DRD4DRD3DRD2CYP3A4CYP1A2
SCHEMBL7375024 0.90 DRD3 (0.58) DRD4DRD3DRD2CYP3A4CYP1A2
SCHEMBL6682529 0.84 DRD3 (0.85) DRD4DRD3DRD2CYP3A4CYP1A2
SCHEMBL3361901 0.83 DRD3 (0.85) DRD4DRD3DRD2CYP3A4CYP1A2
SCHEMBL19236412 0.83 DRD3 (0.85) DRD4DRD3DRD2CYP3A4CYP1A2
SCHEMBL7373070 0.82 DRD3 (0.74) DRD4DRD3DRD2CYP3A4CYP1A2
SCHEMBL7371220 0.81 DRD3 (0.69) DRD4DRD3DRD2CYP3A4CYP1A2
SCHEMBL7366214 0.80 DRD3 (0.70) DRD4DRD3DRD2CYP3A4CYP1A2

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