SCHEMBL9047928

SCHEMBL9047928

O=C[C@H]1NCCC1C(=O)[C@@H]1CCCN1C(=O)CCCc1cc2ccccc2o1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.49
HTR1A P08908 9/20 0.37
HTR7 P34969 9/20 0.37
ADAM10 O14672 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
ADAM17 P78536 1/20 0.37
DPP4 P27487 3/20 0.36
HRH3 Q9Y5N1 2/20 0.35
DRD2 P14416 2/20 0.35
DRD1 P21728 2/20 0.35
DRD3 P35462 2/20 0.35
DRD5 P21918 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RCE1 Q9Y256 1/20 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
SCHEMBL9047474 0.97 PREP (0.48) PREPHTR1AHTR7ADAM10MMP1
SCHEMBL9049239 0.95 PREP (0.52) PREPHTR1AHTR7ADAM10MMP1
SCHEMBL9050451 0.90 PREP (0.61) PREPHTR1AHTR7ADAM10MMP1
SCHEMBL9049484 0.86 PREP (0.48) PREPHTR1AHTR7ADAM10MMP1
SCHEMBL9046320 0.83 PREP (0.47) PREPHTR1AHTR7ADAM10MMP1
SCHEMBL9048816 0.81 POLB (0.46) PREPHRH3KDM4E
SCHEMBL9047283 0.81 PREP (0.59) PREPADAM10MMP1MMP2MMP3
SCHEMBL9049063 0.80 PREP (0.52) PREPHTR1AHTR7ADAM10MMP1
SCHEMBL9046264 0.76 PREP (0.59) PREPADAM10MMP1MMP2MMP3
SCHEMBL9050374 0.76 PREP (0.64) 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