SCHEMBL8498372

SCHEMBL8498372

[NH]C(=O)N1CCNCC1C(=O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.36
TSHR P16473 2/20 0.36
SLC6A11 P48066 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A13 Q9NSD5 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
CYP2D6 P10635 1/20 0.35
HTR6 P50406 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PADI1 Q9ULC6 1/20 0.33
PADI4 Q9UM07 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33

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
SCHEMBL8495169 0.98 SLC6A1 (0.37) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL2676702 0.78 TSHR (0.43) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL2677819 0.78 TSHR (0.43) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL2252292 0.77 HSD17B10 (0.44) LMNASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL2677615 0.76 SLC6A1 (0.44) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL3448296 0.75 SLC6A1 (0.36) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL8498877 0.75 HTR2A (0.32)
SCHEMBL8498081 0.74 HTR6 (0.37) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL3448403 0.73 SLC6A1 (0.37) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL8497853 0.72 HTR6 (0.38) SLC6A1TSHRSLC6A11LMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0552417-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-07 EP disclosed
EP-0528312-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-07-16 EP disclosed