SCHEMBL25299136

SCHEMBL25299136

CCCCC(=O)Nc1cnc2ccsc2c1NCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.43
KDM4E B2RXH2 2/20 0.41
PKM P14618 1/20 0.41
ADORA2A P29274 3/20 0.40
ADORA2B P29275 3/20 0.40
GLS O94925 1/20 0.39
FAAH O00519 1/20 0.38
MAPT P10636 1/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
SYK P43405 1/20 0.38
BCDIN3D Q7Z5W3 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL25301779 0.91 KDM4E (0.42) GPR119KDM4EPKMADORA2AADORA2B
SCHEMBL31270804 0.91 KDM4E (0.42) GPR119KDM4EPKMADORA2AADORA2B
SCHEMBL29030555 0.88 NPC1 (0.37) KDM4EADORA2AMAPTPDE4APDE4B
SCHEMBL31025948 0.86 GRIN2B (0.55)
SCHEMBL25254475 0.86 GRIN2B (0.55)
SCHEMBL25301684 0.82 NPC1 (0.38) ADORA2AADORA2BMAPTPDE4APDE4B
SCHEMBL31270846 0.82 KDM4E (0.48) GPR119KDM4EPKMADORA2AADORA2B
SCHEMBL25255284 0.82 KDM4E (0.48) GPR119KDM4EPKMADORA2AADORA2B
SCHEMBL25818351 0.81 NPC1 (0.35) KDM4EADORA2AADORA2BMAPTPDE4A
SCHEMBL25295149 0.79 KDM4E (0.43) GPR119KDM4EPKMADORA2AADORA2B

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
WO-2023125121-A1 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2023-07-06 WO disclosed
WO-2023125121-A1 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2023-07-06 WO disclosed