SCHEMBL7436359

SCHEMBL7436359

CC(C)c1c([C](Cc2ccccc2)C2CC2)cccc1-c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 2/20 0.38
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CCR1 P32246 3/20 0.34
KCNA3 P22001 1/20 0.34
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BRS3 P32247 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.32
CNR2 P34972 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
SCHEMBL7435318 0.77 SCN1A (0.38) L3MBTL1
SCHEMBL9130434 0.74 LMNA (0.38) SLC6A4SLC6A3L3MBTL1CNR2
SCHEMBL7432308 0.73 SCN1A (0.37) L3MBTL1
SCHEMBL7446176 0.69 ALDH1A1 (0.40) SLC6A4SLC6A3
SCHEMBL9132381 0.67 TSHR (0.44) L3MBTL1
SCHEMBL7370889 0.64 SCN1A (0.44) L3MBTL1
SCHEMBL31018830 0.63 HNF4A (0.58) MAPTL3MBTL1LTB4R2
SCHEMBL9131019 0.63 TSHR (0.41)
SCHEMBL8669232 0.62 AKR1B1 (0.46) L3MBTL1
SCHEMBL7446846 0.62 TSHR (0.39)

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
US-5491149-A VIRICIDES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-02-13 US disclosed