SCHEMBL30954718

SCHEMBL30954718

Brc1ccc2c(c1)C1(CCOCC1)OC2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
BLM P54132 1/20 0.41
APP P05067 2/20 0.40
BACE1 P56817 2/20 0.40
KDM1A O60341 1/20 0.36
AVPR1A P37288 1/20 0.32
P2RX7 Q99572 1/20 0.32
OPRD1 P41143 1/20 0.32
CMA1 P23946 1/20 0.32
AHR P35869 1/20 0.32

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
SCHEMBL31515349 0.89 KDM1A (0.40) LMNAMAPTHTTBLMKDM1A
SCHEMBL31394396 0.88 LMNA (0.40) LMNAMAPTHTTBLMAPP
SCHEMBL30954699 0.86 KDM1A (0.38) APPBACE1KDM1AOPRD1CMA1
SCHEMBL25866296 0.82 BACE1 (0.37) LMNAMAPTHTTBLMBACE1
SCHEMBL30954707 0.81 BACE1 (0.39) APPBACE1KDM1AOPRD1CMA1
SCHEMBL18373201 0.81 HTR2C (0.40) KDM1ACMA1AHR
SCHEMBL17586458 0.80 OPRD1 (0.39) AVPR1AOPRD1
SCHEMBL30954742 0.79 OPRD1 (0.43) LMNAMAPTBACE1AVPR1AOPRD1
SCHEMBL23705009 0.78 BACE1 (0.37) LMNAMAPTHTTBLMAPP
SCHEMBL25866228 0.77 PNMT (0.37) BACE1KDM1ACMA1AHR

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
WO-2024125488-A1 AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 浙江海正药业股份有限公司 2024-06-20 WO disclosed