SCHEMBL7366712

SCHEMBL7366712

NCCCC1CN(Cc2ccccc2)CCO1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 19/20 0.72
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
DRD3 P35462 7/20 0.63
DRD2 P14416 5/20 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
SCHEMBL7262675 0.92 DRD4 (0.76) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4315640 0.86 DRD4 (0.72) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13887694 0.86 DRD4 (0.72) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1759405 0.85 DRD4 (0.71) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10319583 0.85 DRD4 (0.71) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2768536 0.85 DRD4 (0.71) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1502000 0.85 DRD4 (0.71) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL10670770 0.84 DRD4 (0.69) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9385194 0.84 DRD4 (0.78) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4315527 0.84 DRD4 (0.69) DRD4CYP1A2CYP3A4CYP2D6CYP2C9

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