SCHEMBL4757302

SCHEMBL4757302

COC(=O)C(=O)C1CCCNC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.55
SLC6A11 P48066 1/20 0.55
TSHR P16473 1/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
SLC6A13 Q9NSD5 1/20 0.55
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.53
CYP2D6 P10635 1/20 0.53
NOS2 P35228 1/20 0.44
MAPK1 P28482 1/20 0.38
OPRK1 P41145 1/20 0.38
ALOX15 P16050 1/20 0.38
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35

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
SCHEMBL4756283 0.89 TSHR (0.40) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL763374 0.81 SLC6A1 (0.59) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL4673135 0.81 SLC6A1 (0.59) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL13598498 0.81 SLC6A1 (0.59) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL4630022 0.81 SLC6A1 (0.50) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL3633724 0.81 SLC6A1 (0.50) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL30493397 0.79 SLC6A1 (0.57) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL21224938 0.79 SLC6A1 (0.57) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL28798276 0.79 SLC6A1 (0.57) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL30493363 0.79 SLC6A1 (0.57) SLC6A1SLC6A11TSHRLMNASMN1; 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
WO-2008133344-A2 PIPERIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 WO claimed
WO-2008133344-A2 PIPERIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 WO disclosed