SCHEMBL5811080

SCHEMBL5811080

CN1CCN(C(=O)Cc2cccc(C(N)=O)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.45
IRAK4 Q9NWZ3 1/20 0.44
HSD11B1 P28845 2/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGS2 P35354 2/20 0.41
MBOAT4 Q96T53 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5807809 0.86 HSD11B1 (0.47) TSHRLMNAMAPTHSD11B1KDM4E
SCHEMBL5811085 0.84 LMNA (0.49) TSHRLMNAMAPTHSD11B1HSD17B1
SCHEMBL3923742 0.83 MAPT (0.48) MAPTKDM4EHTTGAAKMT2A
SCHEMBL15650850 0.80 PARP1 (0.47) LMNAKDM4EGLAHTTHDAC6
SCHEMBL5806958 0.79 RAB9A (0.53) TSHRKDM4EHTTKMT2APOLB
SCHEMBL13621171 0.75 KDM4E (0.59) TSHRLMNAMAPTKDM4EKMT2A
SCHEMBL18549597 0.74 PDE5A (0.47) TSHRMAPTKDM4EGAAMBOAT4
SCHEMBL15651529 0.72 HRH3 (0.49) KDM4EKMT2AL3MBTL1
SCHEMBL2829475 0.72 PARP1 (0.54) TSHRKDM4EMBOAT4TDP1
SCHEMBL15652284 0.72 HTR3A (0.58) IRAK4HSD11B1KDM4EGLAHTT

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