SCHEMBL1709367

SCHEMBL1709367

CCOC(=O)CC1CCC(N)C(c2ccc(Cl)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 1/20 0.42
MDM2 Q00987 1/20 0.42
ABCC1 P33527 1/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DPP4 P27487 1/20 0.41

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
SCHEMBL1709360 0.88 L3MBTL1 (0.43) MEN1KMT2ATP53MDM2HPGD
SCHEMBL6917416 0.88 MDM2 (0.48) TP53MDM2
SCHEMBL1709472 0.86 DGAT1 (0.39) SMN1; SMN2
SCHEMBL1709495 0.85 MEN1 (0.38) MEN1KMT2ATP53MDM2ABCC1
SCHEMBL1709371 0.82 MEN1 (0.43) MEN1KMT2ATP53MDM2ABCC1
SCHEMBL1709417 0.81 DPP4 (0.42) MEN1KMT2AHPGDDPP4
SCHEMBL10032839 0.80 KDM1A (0.40) TP53MDM2DPP4
SCHEMBL10032838 0.78 TP53 (0.40) MEN1KMT2ATP53MDM2SMN1; SMN2
SCHEMBL15798206 0.78 HTR2A (0.47) MEN1KMT2AABCC1HPGDSMN1; SMN2
SCHEMBL17259159 0.78 HTR2A (0.47) MEN1KMT2AABCC1HPGDSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012046771-A1 CYCLOALKANE COMPOUND アステラス製薬株式会社 (JP) 2012-04-12 WO disclosed