SCHEMBL8616197

SCHEMBL8616197

c1ccc(Nc2ccccc2NCCC2C3CC4CC(C3)CC2C4)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
GLA P06280 1/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 4/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
FABP4 P15090 1/20 0.34
HSD17B10 Q99714 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 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
SCHEMBL8623490 0.86 KDM4E (0.39) EPHX2MAPTKDM4EMEN1GAA
SCHEMBL8618469 0.73 EPHX2 (0.47) EPHX2MAPTKDM4EMEN1GAA
Diphenylamine SCHEMBL29173772 0.69 HSD17B10 (0.67) EPHX2MAPTKDM4EMEN1GAA
SCHEMBL809569 0.69 MAPT (0.47) MAPTKDM4EMEN1GAAKMT2A
SCHEMBL2431454 0.69 CA12 (0.52) MAPTKDM4EMEN1GAAKMT2A
SCHEMBL29813222 0.69 MAPT (0.47) MAPTKDM4EMEN1GAAKMT2A
SCHEMBL28391601 0.67 L3MBTL1 (0.62) MAPTKDM4EMEN1GAAKMT2A
SCHEMBL444976 0.66 MAPT (0.70) MAPTKDM4EMEN1GAAKMT2A
SCHEMBL29734978 0.66 KCNH3 (0.54) MAPTKDM4EMEN1GAAKMT2A
SCHEMBL6687184 0.66 KCNH3 (0.54) MAPTKDM4EMEN1GAAKMT2A

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-0623118-B1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO WELLCOME SPA (IT) 1998-05-13 EP disclosed
US-5486514-A GASTRIN, CHOLECYSTOKININ RECEPTOR ANTAGONISTS GLAXO SPA (IT) 1996-01-23 US disclosed