SCHEMBL5811085

SCHEMBL5811085

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.49
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
MAPT P10636 2/20 0.46
HSD11B1 P28845 3/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
HRH4 Q9H3N8 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 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
SCHEMBL5807811 0.85 HSD11B1 (0.48) LMNATSHRNOS3NOS1MAPT
SCHEMBL5811080 0.84 TSHR (0.48) LMNATSHRMAPTHSD11B1HSD17B1
SCHEMBL3923745 0.83 MAPT (0.49) TSHRMAPTGAAKMT2AKDM4E
SCHEMBL5806959 0.79 RAB9A (0.54) TSHRMAPTKMT2APOLBL3MBTL1
SCHEMBL13621171 0.77 KDM4E (0.59) LMNATSHRMAPTKMT2APOLB
SCHEMBL14159379 0.74 GABRA5 (0.54) LMNATSHRMAPTHSD11B1HSD17B1
SCHEMBL30323744 0.74 CXCR4 (0.49) LMNANOS3NOS1HRH4KDM4E
SCHEMBL520138 0.74 CXCR4 (0.49) LMNANOS3NOS1HRH4KDM4E
SCHEMBL4287896 0.72 POLB (0.55) LMNATSHRMAPTHSD11B1GAA
SCHEMBL18706533 0.72 ALDH1A1 (0.64) LMNATSHRMAPTGAAKMT2A

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