SCHEMBL9051599

SCHEMBL9051599

COC(OC)C1CCCN1C(=O)[C@@H]1CCCN1C(=O)Cc1cc2ccccc2o1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 7/20 0.69
ADAM10 O14672 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
ADAM17 P78536 1/20 0.41
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD2 P14416 3/20 0.35
HTR1A P08908 2/20 0.35
HTR2B P41595 2/20 0.35

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
SCHEMBL9051596 1.00 PREP (0.69) PREPADAM10MMP1MMP2MMP3
SCHEMBL9045344 0.91 PREP (0.67) PREPADAM10MMP1MMP2MMP3
SCHEMBL9045351 0.91 PREP (0.67) PREPADAM10MMP1MMP2MMP3
SCHEMBL9050127 0.91 PREP (0.59) PREPADAM10MMP1MMP2MMP3
SCHEMBL9050121 0.91 PREP (0.59) PREPADAM10MMP1MMP2MMP3
SCHEMBL9049975 0.89 PREP (0.62) PREPADAM10MMP1MMP2MMP3
SCHEMBL9046256 0.83 PREP (0.57) PREPLMNASMN1; SMN2NPC1RAB9A
SCHEMBL9046248 0.83 PREP (0.57) PREPLMNASMN1; SMN2NPC1RAB9A
SCHEMBL9050338 0.82 PREP (0.57) PREPADAM10MMP1MMP2MMP3
SCHEMBL9050345 0.82 PREP (0.57) PREPADAM10MMP1MMP2MMP3

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-0536399-B1 NOVEL ARYLALKANOYLAMINE DERIVATIVE AND DRUG CONTAINING THE SAME ZERIA PHARM CO LTD (JP) 1996-01-24 EP disclosed
US-5407950-A Brain disorders, senile dementia ZERIA PHARMACEUTICAL CO., LTD. (JP) 1995-04-18 US disclosed
EP-0536399-A1 NOVEL ARYLALKANOYLAMINE DERIVATIVE AND DRUG CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1993-04-14 EP disclosed