SCHEMBL30954699

SCHEMBL30954699

Brc1ccc2c(c1)C1(CCC1)OC2

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
BACE1 P56817 4/20 0.35
APP P05067 2/20 0.35
OPRD1 P41143 1/20 0.33
CMA1 P23946 1/20 0.33
AHR P35869 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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 0.92 KDM1A (0.40) KDM1AOPRD1CMA1AHRSIGMAR1
SCHEMBL30954718 0.86 LMNA (0.41) KDM1ABACE1APPOPRD1CMA1
SCHEMBL30954707 0.84 BACE1 (0.39) KDM1ABACE1APPOPRD1CMA1
SCHEMBL18373201 0.84 HTR2C (0.40) KDM1ACMA1AHRSIGMAR1
SCHEMBL17586458 0.83 OPRD1 (0.39) OPRD1SIGMAR1
SCHEMBL25866296 0.81 BACE1 (0.37) KDM1ABACE1CMA1AHR
SCHEMBL25866228 0.80 PNMT (0.37) KDM1ABACE1CMA1AHR
SCHEMBL31430262 0.79 SLC6A4 (0.40) KDM1AOPRD1CMA1AHRSIGMAR1
SCHEMBL25866229 0.77 BRD4 (0.34) KDM1ABACE1OPRD1
Hydrochloric Acid SCHEMBL30954709 0.76 OPRD1 (0.44) OPRD1SIGMAR1

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