SCHEMBL31362218

SCHEMBL31362218

CC(C)(C)OC(=O)N1CCCCC1Cn1c(=O)[nH]c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
PRMT5 O14744 1/20 0.44
KDM1A O60341 1/20 0.44
PDE8B O95263 1/20 0.44
CHEK2 O96017 1/20 0.42
CCR5 P51681 1/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRD1 P41143 1/20 0.41
POLB P06746 1/20 0.40
IL1B P01584 2/20 0.40
P2RX7 Q99572 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ATM Q13315 2/20 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
SCHEMBL15575861 0.86 OPRD1 (0.43) PRMT5KDM1APDE8BCHEK2CCR5
SCHEMBL28538502 0.83 PDE8B (0.40) PRMT5KDM1APDE8BCHEK2OPRD1
SCHEMBL30336989 0.80 KDM4E (0.50) HPGDCCR5MEN1CYP1A2KMT2A
SCHEMBL3634218 0.80 KDM4E (0.50) HPGDCCR5MEN1CYP1A2KMT2A
SCHEMBL6495180 0.80 CCR5 (0.48) CCR5CHRM2CHRM4CHRM5CHRM1
SCHEMBL6495183 0.80 CCR5 (0.48) CCR5CHRM2CHRM4CHRM5CHRM1
SCHEMBL30025877 0.78 PDE8B (0.44) PRMT5KDM1APDE8BCHEK2MEN1
SCHEMBL737331 0.78 HPGD (0.57) HPGDLMNAMEN1CYP1A2KMT2A
SCHEMBL6496381 0.78 PARP1 (0.53) PRMT5CCR5MEN1KMT2AOPRK1
SCHEMBL31362205 0.78 CYP1A2 (0.41) HPGDCCR5MEN1CYP1A2KMT2A

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-115836054-B IL4I1 inhibitors and methods of use 默沙东有限责任公司 2024-12-10 CN disclosed