SCHEMBL29332280

SCHEMBL29332280

OC1([C@H]2CCCNC2)CCC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
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
MAPT P10636 2/20 0.36
KDM4E B2RXH2 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
ALDH1A1 P00352 1/20 0.32
CPN1 P15169 1/20 0.30
CPB2 Q96IY4 1/20 0.30

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
SCHEMBL29333114 1.00 SLC6A1 (0.38) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL20833158 0.89 MAPT (0.33) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL4879988 0.85 MAPT (0.43) TSHRLMNAMAPTATMCYP2D6
SCHEMBL4879992 0.85 MAPT (0.43) TSHRLMNAMAPTATMCYP2D6
SCHEMBL20833297 0.84 MAPT (0.37) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL20833154 0.83 MAPT (0.36) TSHRMAPT
SCHEMBL20833224 0.79
SCHEMBL21275996 0.79
SCHEMBL20911062 0.79
SCHEMBL23089308 0.76 SLC6A1 (0.33) 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 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