SCHEMBL6274792

SCHEMBL6274792

CC1CCCC(C(=O)NCC(N)=O)C1.CC1CCCC(C(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.40
ANPEP P15144 1/20 0.35
BTK Q06187 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
EPHX1 P07099 1/20 0.33
PSMB5 P28074 2/20 0.32
TSHR P16473 1/20 0.32
NAAA Q02083 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL6273756 0.94 AAK1 (0.43) AAK1SMN1; SMN2HSD17B10USP2ALDH1A1
SCHEMBL1651858 0.83 AAK1 (0.41) AAK1SMN1; SMN2HSD17B10USP2ALDH1A1
SCHEMBL6274839 0.79 EPHX1 (0.47) SMN1; SMN2HSD17B10USP2ALDH1A1HPGD
SCHEMBL26583876 0.79 EPHX1 (0.48) SMN1; SMN2HSD17B10USP2ALDH1A1HPGD
SCHEMBL17476756 0.79 BTK (0.44) AAK1ANPEPBTKSMN1; SMN2ALDH1A1
SCHEMBL6128504 0.79 BTK (0.44) AAK1ANPEPBTKSMN1; SMN2ALDH1A1
SCHEMBL14438406 0.79 BTK (0.44) AAK1ANPEPBTKSMN1; SMN2ALDH1A1
SCHEMBL254912 0.79 BTK (0.44) AAK1ANPEPBTKSMN1; SMN2ALDH1A1
SCHEMBL16169552 0.79 BTK (0.44) AAK1ANPEPBTKSMN1; SMN2ALDH1A1
SCHEMBL14210997 0.79 BTK (0.44) AAK1ANPEPBTKSMN1; SMN2ALDH1A1

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-1606244-A2 CYCLOALKYLAMIDES AND THEIR THERAPEUTIC USE AS ANTIEPILEPTIC AND ANTICONVULSANT Abbott Laboratories (US) 2005-12-21 EP disclosed
WO-2004037769-A2 CYCLOALKYLAMIDES AND THEIR THERAPEUTIC USE AS ANTIEPILEPTIC AND ANTICONVULSANT ABBOTT LABORATORIES (US) 2004-05-06 WO disclosed