SCHEMBL27356201

SCHEMBL27356201

CC(C)(C)C(=O)OC(=O)C1CCCNC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.50
SLC6A11 P48066 1/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SLC6A13 Q9NSD5 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
CYP2D6 P10635 1/20 0.49
NOS2 P35228 1/20 0.41
SSTR4 P31391 1/20 0.32
ALOX15 P16050 1/20 0.32
CDK9 P50750 2/20 0.31
CCNE2 O96020 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CPN1 P15169 1/20 0.31
CPB2 Q96IY4 1/20 0.31

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
SCHEMBL20361927 0.84 SLC6A1 (0.63) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL27873982 0.83 SLC6A1 (0.50) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL27505139 0.82 CHRNB2 (0.38)
SCHEMBL160677 0.81 SLC6A1 (0.55) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL25700006 0.81 SLC6A1 (0.55) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL160676 0.81 SLC6A1 (0.55) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL27583837 0.81 SLC6A1 (0.55) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL5746780 0.81 SLC6A1 (0.47) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL21612901 0.79 SLC6A1 (0.53) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL27268590 0.79 GABRP (0.43) TSHRSMN1; SMN2KMT2ACYP2D6NOS2

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
CN-1061595-A Be used as new heterocyclics of excited amino acid receptor antagonists and its production and use AKTIEBOTAGEL ASTRA (SE) 1992-06-03 CN disclosed