SCHEMBL5807809

SCHEMBL5807809

NC(=O)c1cccc(CC(=O)N2CCCCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
POLB P06746 1/20 0.44
HPGD P15428 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
GNE Q9Y223 1/20 0.44
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
LMNA P02545 1/20 0.41
ECE2 P0DPD6 1/20 0.40

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
SCHEMBL5811080 0.86 TSHR (0.48) HSD11B1POLBKMT2ATSHRL3MBTL1
SCHEMBL3923742 0.86 MAPT (0.48) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL5807811 0.84 HSD11B1 (0.48) HSD11B1POLBHPGDSMN1; SMN2NPC1
SCHEMBL30786265 0.79 HPGD (0.50) HSD11B1POLBHPGDSMN1; SMN2NPC1
SCHEMBL1118921 0.79 KDM4E (0.49) HPGDTSHRKDM4EALDH1A1CYP2C9
SCHEMBL5806958 0.79 RAB9A (0.53) POLBHPGDSMN1; SMN2NPC1KMT2A
SCHEMBL18549597 0.76 PDE5A (0.47) SMN1; SMN2TSHRMAPTKDM4ECYP1A2
SCHEMBL10574538 0.74 ALDH1A1 (0.58) POLBHPGDSMN1; SMN2NPC1KMT2A
SCHEMBL13833166 0.73 CXCR4 (0.50) HPGDTSHRNPSR1L3MBTL1MAPT
SCHEMBL2829094 0.72 PIM1 (0.44) TSHRNPSR1KDM4ELMNAMBOAT4

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-2006050908-A1 INHIBITORS OF 11ΒΕΤΑ-HYDROXY STEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) EVOTEC AG (DE) 2006-05-18 WO disclosed