SCHEMBL7815058

SCHEMBL7815058

O=C(O)CC(CC(=O)NCc1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
ALDH1A1 P00352 1/20 0.55
KDM4E B2RXH2 1/20 0.55
RECQL P46063 1/20 0.55
HPGD P15428 2/20 0.54
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
GABBR2 O75899 1/20 0.53
GABBR1 Q9UBS5 1/20 0.53
GAA P10253 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TACR1 P25103 1/20 0.52
BCHE P06276 1/20 0.50
APEX1 P27695 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49

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
SCHEMBL7812090 0.90 LMNA (0.60) MAPTALDH1A1KDM4ERECQLHTT
SCHEMBL2222874 0.84 MAPT (0.56) MAPTALDH1A1KDM4ERECQLHPGD
SCHEMBL7815227 0.83 FNTA (0.51) MAPTALDH1A1RECQLHPGDHTT
SCHEMBL7809414 0.83 TACR1 (0.47) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL15571714 0.83 HPGD (0.72) MAPTALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL29050822 0.81 MAPT (0.59) MAPTALDH1A1KDM4ERECQLHPGD
SCHEMBL503819 0.80 GABBR2 (0.76) MAPTKDM4ERECQLHTTSMN1; SMN2
SCHEMBL22636418 0.79 GAA (0.54) MAPTALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL22636419 0.79 GAA (0.54) MAPTALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL14027523 0.79 POLB (0.61) MAPTKDM4ERECQLHTTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773929-B1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORP (US) 2001-10-31 EP disclosed
US-5654316-A Piperidine derivatives as neurokinin antagonists SCHERING CORPORATION (US) 1997-08-05 US disclosed