SCHEMBL8388643

SCHEMBL8388643

O=C(O)CNCCC1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 4/20 0.41
PHF8 Q9UPP1 4/20 0.41
KDM2A Q9Y2K7 4/20 0.41
KDM4C Q9H3R0 3/20 0.41
KDM7A Q6ZMT4 1/20 0.41
EPHX1 P07099 1/20 0.36
MAPT P10636 1/20 0.36
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
KDM4A O75164 1/20 0.34
SLC6A1 P30531 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRB2 P47870 2/20 0.33
SLC6A12 P48065 2/20 0.33
SLC6A11 P48066 2/20 0.33
SLC6A13 Q9NSD5 2/20 0.33
ACHE P22303 2/20 0.33
KCNH2 Q12809 1/20 0.33
BCHE P06276 1/20 0.33
MAOA P21397 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
SCHEMBL31688784 0.91 EPHX1 (0.42) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL4171328 0.90 EPHX1 (0.49) KDM5APHF8KDM2AKDM4CEPHX1
SCHEMBL7719751 0.87 LMNA (0.44) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL10389346 0.86 EPHX1 (0.46) KDM5APHF8KDM2AKDM4CEPHX1
SCHEMBL524625 0.78
Hydrochloric Acid SCHEMBL30478821 0.76 TDP1 (0.44) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL6877330 0.75 KDM5A (0.47) KDM5APHF8KDM2AKDM4CEPHX1
SCHEMBL24556959 0.75 KDM5A (0.55) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL24556984 0.75 KDM5A (0.55) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL24602547 0.75 KDM5A (0.55) KDM5APHF8KDM2AKDM4CKDM7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1053893-C Process for the manufacture of dicarboxamides HOFFMANN LA ROCHE (CH) 2000-06-28 CN disclosed
US-5856505-A Intermediates for the manufacture of dicarboxamides having thrombin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 1999-01-05 US disclosed
US-5536867-A Process for the manufacture of dicarboxamides HOFFMANN-LA ROCHE INC. (US) 1996-07-16 US disclosed
CN-1117488-A Process for the manufacture of dicarboxamides HOFFMANN LA ROCHE (CH) 1996-02-28 CN disclosed
EP-0684238-A2 Process for the manufacture of dicarboxamides F. HOFFMANN-LA ROCHE AG (CH) 1995-11-29 EP disclosed