SCHEMBL7375487

SCHEMBL7375487

CC(=O)OCCC1OCCN(OCc2ccccc2)C1=C=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.41
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.34
CHRM4 P08173 1/20 0.33
GRM5 P41594 1/20 0.33
CAPN1 P07384 1/20 0.33
F2 P00734 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL7371580 0.85 MEN1 (0.34) SLC18A3ALDH1A1MEN1KMT2ANPSR1
SCHEMBL7371962 0.82 DRD4 (0.34) ALDH1A1MEN1KMT2ANPSR1
SCHEMBL7543136 0.82 MEN1 (0.36) ALDH1A1MEN1KMT2ANPSR1
SCHEMBL7542970 0.76 CAPN1 (0.36) ALDH1A1MEN1KMT2ANPSR1CAPN1
SCHEMBL7370272 0.69 MEN1 (0.54) ALDH1A1MEN1KMT2ANPSR1
SCHEMBL5871291 0.68 NPC1 (0.39) ALDH1A1
SCHEMBL7366679 0.67 DRD4 (0.63)
SCHEMBL27628961 0.66 CYP2C19 (0.40) ALDH1A1
SCHEMBL8765520 0.64 SMN1; SMN2 (0.62) ALDH1A1MEN1KMT2ANPSR1CHRM4
SCHEMBL27733749 0.63 ALDH1A1 (0.38) ALDH1A1

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
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