SCHEMBL2447500

SCHEMBL2447500

CC(C)(NC(=O)C1CCCNC1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 9/20 0.59
SLC6A1 P30531 2/20 0.45
SLC6A11 P48066 1/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC6A13 Q9NSD5 1/20 0.45
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
SSTR1 P30872 1/20 0.42
SSTR2 P30874 1/20 0.42
SSTR3 P32745 1/20 0.42
SSTR5 P35346 1/20 0.42
F10 P00742 1/20 0.42
SCN9A Q15858 1/20 0.42
KHK P50053 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 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
SCHEMBL17922947 0.83 SSTR4 (0.51) SSTR4TNKSTNKS2SSTR1SSTR2
SCHEMBL29542994 0.81 SSTR4 (0.48) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL8097215 0.81 SSTR4 (0.60) SSTR4LMNASMN1; SMN2SCN9AKDM4E
SCHEMBL29541761 0.80 SSTR4 (0.49) SSTR4SLC6A1SLC6A11TSHRLMNA
SCHEMBL18347306 0.78 SSTR4 (0.55) SSTR4TSHRSCN9AKHKKDM4E
SCHEMBL4963259 0.78 TNKS (0.51) SSTR4SMN1; SMN2TNKSTNKS2F10
SCHEMBL21214136 0.78 SLC6A1 (0.53) SSTR4SLC6A1SLC6A11TSHRLMNA
SCHEMBL21214198 0.78 SLC6A1 (0.53) SSTR4SLC6A1SLC6A11TSHRLMNA
SCHEMBL21214016 0.78 SLC6A1 (0.53) SSTR4SLC6A1SLC6A11TSHRLMNA
Hydrochloric Acid SCHEMBL18336412 0.77 SSTR4 (0.53) SSTR4TSHRSCN9AKHKKDM4E

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
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP disclosed