SCHEMBL25051760

SCHEMBL25051760

CCS(=O)(=O)CC1CCCNC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.41
CPN1 P15169 1/20 0.39
CPB2 Q96IY4 1/20 0.39
KMT2A Q03164 2/20 0.36
HRH4 Q9H3N8 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
EPHX1 P07099 1/20 0.36
KAT5 Q92993 1/20 0.35
EED O75530 1/20 0.35
SLC6A1 P30531 3/20 0.34
SLC6A11 P48066 2/20 0.34
SLC6A13 Q9NSD5 2/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BACE1 P56817 2/20 0.34
SCN9A Q15858 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 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
SCHEMBL12425843 0.83
SCHEMBL893651 0.83
SCHEMBL3018675 0.83
SCHEMBL6393299 0.82 APLNR (0.42) APLNRCPN1CPB2KMT2AHRH4
Hydrochloric Acid SCHEMBL27803981 0.81
Hydrochloric Acid SCHEMBL8036195 0.81
SCHEMBL21194380 0.79 APLNR (0.40) APLNRCPN1CPB2KMT2AHRH4
SCHEMBL23592546 0.79 JAK2 (0.31)
SCHEMBL20744613 0.78 APLNR (0.52) APLNRCPN1CPB2KMT2AHRH4
SCHEMBL355219 0.78 CPN1 (0.44) APLNRCPN1CPB2KMT2AHRH4

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-2023018810-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2023-02-16 WO disclosed