SCHEMBL22720305

SCHEMBL22720305

CC(C)(C)OC(=O)N1CCN(c2nc(Cl)nc3c2CCC3)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 5/20 0.45
SPR P35270 2/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
EHMT2 Q96KQ7 2/20 0.42
POLB P06746 1/20 0.40
CKS1B P61024 2/20 0.39
SKP1 P63208 2/20 0.39
SKP2 Q13309 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
TLR9 Q9NR96 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38

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
SCHEMBL22708883 0.85 CKS1B (0.40) GBA1SPRMEN1KMT2APOLB
SCHEMBL29423762 0.85 CKS1B (0.40) GBA1SPRMEN1KMT2APOLB
SCHEMBL21734104 0.82 GBA1 (0.44) GBA1SPREHMT2CKS1BSKP1
SCHEMBL25526820 0.82 MTOR (0.47) GBA1MEN1KMT2AMAPTNR1H2
SCHEMBL8340940 0.82 GBA1 (0.41) GBA1SPRMEN1KMT2APOLB
SCHEMBL21722183 0.81 GBA1 (0.44) GBA1SPRKMT2AEHMT2CKS1B
SCHEMBL17523460 0.81 MTOR (0.47) GBA1MEN1KMT2AMAPTNR1H2
SCHEMBL23074865 0.81 C5AR1 (0.48) GBA1CKS1BSKP1SKP2CNR1
SCHEMBL21733677 0.81 GPR119 (0.45) GBA1SPREHMT2CKS1BSKP1
SCHEMBL23075017 0.80 TLR9 (0.44) GBA1CKS1BSKP1SKP2TLR9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113396147-B Aromatic heterocyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-06-18 CN disclosed
CN-113396147-A Aromatic heterocyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2021-09-14 CN disclosed
WO-2020239123-A1 AROMATIC HETEROCYCLIC DERIVATIVE MODULATOR AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2020-12-03 WO disclosed
WO-2020239123-A1 AROMATIC HETEROCYCLIC DERIVATIVE MODULATOR AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2020-12-03 WO disclosed