SCHEMBL6586975

SCHEMBL6586975

Cc1ccc(N=C=S)c2c1N(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 7/20 0.39
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
USP30 Q70CQ3 2/20 0.34
GPR119 Q8TDV5 3/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ESR2 Q92731 1/20 0.32
CHRM4 P08173 1/20 0.32
DRD2 P14416 1/20 0.32
HTR7 P34969 1/20 0.32
KDM1A O60341 1/20 0.31
C5AR1 P21730 1/20 0.31
NR1H2 P55055 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
SCHEMBL7662147 0.81 ESR2 (0.39) UCHL1LMNANPSR1GPR119ESR2
SCHEMBL6583488 0.78 UCHL1 (0.40) UCHL1LMNANPSR1USP30GPR119
SCHEMBL6585089 0.74 LMNA (0.44) UCHL1LMNANPSR1USP30CYP1A2
SCHEMBL31233813 0.71 NOTUM (0.42) UCHL1USP30GPR119POLBMEN1
SCHEMBL26117919 0.71 NOTUM (0.42) UCHL1USP30GPR119POLBMEN1
SCHEMBL6584763 0.70 LMNA (0.38) UCHL1LMNANPSR1USP30GPR119
SCHEMBL3902271 0.70 CNR2 (0.52) UCHL1GPR119CYP3A4CYP2C19ESR2
SCHEMBL6585116 0.68 LMNA (0.35) UCHL1LMNANPSR1GPR119MEN1
SCHEMBL2895132 0.68 CHRM4 (0.56) UCHL1GPR119MAPTESR2CHRM4
SCHEMBL6584772 0.68 LMNA (0.35) UCHL1LMNANPSR1USP30GPR119

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944621-B1 2-IMIDAZOLINYLAMINOINDOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2004-09-01 EP disclosed
US-6395764-B1 NOSAL DECONGESTION, RESPIRATORY SYSTEM DISORDERS THE PROCTER & GAMBLE COMPANY 2002-05-28 US disclosed
US-6162818-A 2-imidazolinylaminoindole compounds useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 2000-12-19 US disclosed