SCHEMBL22435341

SCHEMBL22435341

CC(C)(C)c1cnn2c1CCCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.49
LRRK2 Q5S007 2/20 0.40
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP11B1 P15538 7/20 0.36
CYP11B2 P19099 7/20 0.36
NLRP3 Q96P20 1/20 0.34
KDM5B Q9UGL1 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
PLK1 P53350 1/20 0.32
CSNK2A1 P68400 1/20 0.32
PLK3 Q9H4B4 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
CDK1 P06493 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
SCHEMBL25598688 1.00 SSTR4 (0.49) SSTR4LRRK2DRD4DRD3ALDH1A1
SCHEMBL10182912 0.98 SSTR4 (0.50) SSTR4LRRK2DRD4DRD3ALDH1A1
SCHEMBL18179471 0.93 SSTR4 (0.45) SSTR4LRRK2DRD4DRD3ALDH1A1
SCHEMBL21937741 0.79 SSTR4 (0.47) SSTR4LRRK2DRD4DRD3CYP11B1
SCHEMBL23762577 0.76 LRRK2 (0.35) SSTR4LRRK2MEN1MAPTKMT2A
SCHEMBL20861635 0.76 CYP11B1 (0.43) SSTR4LRRK2DRD4DRD3ALDH1A1
SCHEMBL18338368 0.76 DRD4 (0.41) SSTR4LRRK2DRD4DRD3ALDH1A1
SCHEMBL25772023 0.76 CYP11B1 (0.43) SSTR4LRRK2DRD4DRD3ALDH1A1
SCHEMBL23762860 0.75 LRRK2 (0.37) SSTR4LRRK2SIGMAR1
SCHEMBL12775911 0.75 DRD4 (0.45) SSTR4LRRK2DRD4DRD3CYP11B1

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-2020185606-A1 MACROCYCLIC COMPOUNDS ZENO MANAGEMENT, INC. (US) 2020-09-17 WO disclosed