SCHEMBL28637688

SCHEMBL28637688

CC(C)(C)OC(=O)N1CCNCC1(N)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
ATM Q13315 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
KDM1A O60341 1/20 0.37
RORC P51449 2/20 0.37
TACR1 P25103 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
KIT P10721 1/20 0.35
CCR5 P51681 1/20 0.35
BCHE P06276 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL30151394 0.82 NR1H2 (0.40) NR1H2NR1H3MAPK1TSHRALOX15
SCHEMBL27993675 0.81 SIGMAR1 (0.39) TSHROPRD1MEN1KMT2A
SCHEMBL28139616 0.81 TSHR (0.43) NR1H2NR1H3TSHRALOX15ATM
SCHEMBL4710880 0.81 NR1H2 (0.39) NR1H2NR1H3MAPK1TSHRALOX15
SCHEMBL28029544 0.81 MAPK1 (0.39) NR1H2NR1H3MAPK1TSHRGPR119
SCHEMBL27848384 0.81 GPR119 (0.42) NR1H2NR1H3MAPK1TSHRALOX15
SCHEMBL4592731 0.80 SIGMAR1 (0.38) TSHROPRD1KDM4EMEN1KMT2A
SCHEMBL30893065 0.79 TSHR (0.37) NR1H2NR1H3MAPK1TSHRALOX15
SCHEMBL29091781 0.78 OPRD1 (0.38) NR1H2NR1H3MAPK1TSHRALOX15
SCHEMBL3733138 0.77 MAPK1 (0.39) NR1H2NR1H3MAPK1TSHRGPR119

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
CN-113412259-A Bifunctional compounds for the degradation of BTK via the ubiquitin proteasome pathway 紐力克斯治疗公司 2021-09-17 CN disclosed