SCHEMBL7091382

SCHEMBL7091382

O=C(CCc1ccccc1)NC1CCN(c2ccncc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ME3 Q16798 1/20 0.59
SIGMAR1 Q99720 4/20 0.57
LMNA P02545 1/20 0.51
EPHX2 P34913 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 2/20 0.50
EPHX1 P07099 1/20 0.50
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CHRM4 P08173 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL7086594 0.83 KDM4E (0.65) LMNAEPHX2MAPTNPC1SMN1; SMN2
SCHEMBL7902716 0.82 TP53 (0.60) ME3SIGMAR1TDP1MAPTNPC1
SCHEMBL27904589 0.80 SIGMAR1 (0.60) SIGMAR1EPHX2EPHX1MAOAMAOB
Benzene SCHEMBL27559018 0.80 KDM1A (0.53) ME3SIGMAR1EPHX2SMN1; SMN2MAOB
SCHEMBL4180735 0.80 EPHX2 (0.69) SIGMAR1EPHX2EPHX1
SCHEMBL6190799 0.80 ALDH1A1 (0.58) ME3SIGMAR1EPHX1CHRM4
SCHEMBL15533318 0.79 SIGMAR1 (0.59) SIGMAR1EPHX2EPHX1MAOAMAOB
SCHEMBL27557817 0.79 ITGB3 (0.51) ME3SIGMAR1EPHX2SMN1; SMN2MAOB
SCHEMBL5504017 0.78 SIGMAR1 (0.82) SIGMAR1EPHX2EPHX1MAOAMAOB
SCHEMBL28554753 0.77 EPHX2 (0.80) EPHX2EPHX1NPC1SMN1; 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-1341755-A1 CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS MERCK PATENT GmbH (DE) 2003-09-10 EP disclosed
WO-2002048099-A1 CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS MERCK PATENT GMBH (DE) 2002-06-20 WO disclosed