SCHEMBL9875166

SCHEMBL9875166

O=C(CCC(=O)N1CCCC1[C@@H](O)c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.60
FAP Q12884 1/20 0.60
DUT P33316 1/20 0.45
ACE P12821 5/20 0.44
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 2/20 0.42
ACE2 Q9BYF1 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 3/20 0.42
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP2D6 P10635 4/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL10557781 1.00 PREP (0.60) PREPFAPDUTACEALDH1A1
SCHEMBL9873839 0.86 PREP (0.62) PREPFAPACEALDH1A1MAPK1
SCHEMBL9873842 0.86 PREP (0.62) PREPFAPACEALDH1A1MAPK1
SCHEMBL9874281 0.84 PREP (0.59) PREPFAPACEALDH1A1MAPK1
SCHEMBL9874465 0.84 PREP (0.59) PREPFAPDUTACEALDH1A1
SCHEMBL9874283 0.84 PREP (0.59) PREPFAPACEALDH1A1MAPK1
SCHEMBL9872028 0.84 PREP (0.59) PREPFAPDUTACEALDH1A1
SCHEMBL9874715 0.82 PREP (0.57) PREPFAPACEALDH1A1MAPK1
SCHEMBL9873507 0.82 PREP (0.57) PREPFAPACEALDH1A1MAPK1
SCHEMBL9879640 0.81 MEN1 (0.57) PREPDUTKMT2ACYP1A2CYP2D6

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
US-5051444-A Pyrrolidine derivatives as anti-amnesia agents SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-09-24 US disclosed
US-4880827-A Pyrrolidine derivatives having inhibitory action for proline specific endopepidase SUMITOMO PHARMACEUTICALS COMPANY, LTD. (JP) 1989-11-14 US disclosed
EP-0238319-A1 Pyrrolidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-09-23 EP disclosed