SCHEMBL29332276

SCHEMBL29332276

OCC(CO)[C@H]1CCCNC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.49
CPB2 Q96IY4 2/20 0.49
SLC6A1 P30531 2/20 0.38
SLC6A11 P48066 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A13 Q9NSD5 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
NOS2 P35228 1/20 0.36
CYP2D6 P10635 1/20 0.36
APLNR P35414 2/20 0.32

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
SCHEMBL29333056 1.00 CPN1 (0.49) CPN1CPB2SLC6A1SLC6A11TSHR
Hydrochloric Acid SCHEMBL31629538 0.84 SLC6A2 (0.37) CPN1CPB2SLC6A1SLC6A11SLC6A13
SCHEMBL11272305 0.83 CPN1 (0.37) CPN1CPB2
SCHEMBL9340322 0.82 CPN1 (0.40) CPN1CPB2SLC6A1SLC6A11TSHR
SCHEMBL6371310 0.81 CPN1 (0.47) CPN1CPB2SLC6A1SLC6A11TSHR
SCHEMBL29332274 0.81 CPN1 (0.47) CPN1CPB2SLC6A1SLC6A11TSHR
SCHEMBL18611150 0.79 CPN1 (0.50) CPN1CPB2SLC6A1SLC6A11TSHR
Hydrochloric Acid SCHEMBL6373129 0.79 CPN1 (0.46) CPN1CPB2SLC6A1SLC6A11TSHR
SCHEMBL29332964 0.79 CPN1 (0.50) CPN1CPB2SLC6A1SLC6A11TSHR
SCHEMBL6863922 0.78 CPN1 (0.44) CPN1CPB2SLC6A1SLC6A11TSHR

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-2024149728-A1 SUBSTITUTED (HETERO)ANILINES AND THEIR USE ASTRAZENECA AB (SE) 2024-07-18 WO disclosed