SCHEMBL29947474

SCHEMBL29947474

CC(C)(C)C(O)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
KDM4E B2RXH2 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 1/20 0.43
TP53 P04637 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
KCNA5 P22460 6/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 1/20 0.41
KCNE1 P15382 2/20 0.40
MAPT P10636 1/20 0.40
CYP2D6 P10635 1/20 0.40
ABCB11 O95342 1/20 0.39
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL3351311 1.00 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4KDM4ETSHR
SCHEMBL15114520 0.80 CYP1A2 (0.47) SLC6A3SLC6A2SLC6A4KDM4ETSHR
SCHEMBL21240438 0.80 SMN1; SMN2 (0.43) SLC6A3SLC6A2SLC6A4KDM4ETSHR
SCHEMBL507417 0.79 SLC6A2 (0.45) SLC6A3SLC6A2SLC6A4KDM4ETSHR
SCHEMBL2476939 0.78 SLC6A2 (0.48) SLC6A3SLC6A2SLC6A4KDM4ETSHR
SCHEMBL12142306 0.78 SLC6A2 (0.48) SLC6A3SLC6A2SLC6A4KDM4ETSHR
SCHEMBL23610049 0.77 CYP3A4 (0.48) SLC6A3SLC6A2SLC6A4KDM4ETSHR
SCHEMBL5960481 0.77 SLC6A2 (0.47) SLC6A3SLC6A2SLC6A4KDM4ETSHR
SCHEMBL7759775 0.77 CYP3A4 (0.48) SLC6A3SLC6A2SLC6A4KDM4ETSHR
SCHEMBL12725114 0.77 SLC6A2 (0.47) SLC6A3SLC6A2SLC6A4KDM4ETSHR

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
EP-4301468-A1 FGFR3 INHIBITOR COMPOUNDS Eli Lilly and Company (US) 2024-01-10 EP disclosed
WO-2022187443-A1 FGFR3 INHIBITOR COMPOUNDS ELI LILLY AND COMPANY (US) 2022-09-09 WO disclosed