SCHEMBL24329384

SCHEMBL24329384

CC(c1ccccc1)(c1ccccc1)n1cnc(CCCO)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 15/20 0.41
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
LTA4H P09960 1/20 0.31
EPHX2 P34913 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL2032778 0.85 SIRT2 (0.47) SIRT2CYP11B1CYP11B2
SCHEMBL24329385 0.83 SIRT2 (0.44) SIRT2KDM4EALDH1A1
SCHEMBL4391915 0.82 SIRT2 (0.42) SIRT2
Lithium Ion SCHEMBL18991219 0.82 SIRT2 (0.45) SIRT2CYP11B1CYP11B2
SCHEMBL4682888 0.81 SIRT2 (0.46) SIRT2CYP11B1CYP11B2
SCHEMBL7705343 0.80 SIRT2 (0.46) SIRT2CYP11B1CYP11B2
SCHEMBL4389525 0.80 LMNA (0.47) SIRT2MAPT
SCHEMBL24329386 0.78 SIRT2 (0.36) SIRT2KDM4EALDH1A1
SCHEMBL1041048 0.76 SIRT2 (0.49) SIRT2CYP11B1CYP11B2
SCHEMBL7988579 0.74 CYP11B1 (0.44) SIRT2CYP11B1CYP11B2LTA4HEPHX2

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-2022079428-A1 LINEAR APELIN RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2022-04-21 WO disclosed