SCHEMBL6166433

SCHEMBL6166433

CCCCCCCNc1nc(CC)cnc1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 1/20 0.38
TLR8 Q9NR97 2/20 0.37
UTS2R Q9UKP6 1/20 0.36
LATS1 O95835 1/20 0.36
LATS2 Q9NRM7 1/20 0.36
GBA1 P04062 1/20 0.36
CTSL P07711 1/20 0.36
DNM2 P50570 5/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
SLC29A1 Q99808 1/20 0.35
HCAR3 P49019 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35

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
SCHEMBL6166426 0.98 NPSR1 (0.39) S1PR2LMNASMN1; SMN2NPSR1KMT2A
SCHEMBL6203304 0.75 UTS2R (0.44) S1PR2LMNASMN1; SMN2NPSR1TLR8
SCHEMBL6166420 0.73 PCSK9 (0.31)
SCHEMBL6204833 0.72 CCR4 (0.42) S1PR2LMNASMN1; SMN2NPSR1TLR8
SCHEMBL6168023 0.71 KDM4E (0.40) S1PR2LMNASMN1; SMN2NPSR1KMT2A
SCHEMBL6166430 0.70 CRHR1 (0.38) TLR8TLR7CYP2D6
SCHEMBL6165652 0.69 TLR8 (0.41) S1PR2LMNASMN1; SMN2NPSR1KMT2A
SCHEMBL6168059 0.69 TLR8 (0.46) S1PR2LMNASMN1; SMN2NPSR1KMT2A
SCHEMBL6166421 0.69 CRHR1 (0.49)
SCHEMBL9774909 0.69 SMN1; SMN2 (0.51) S1PR2LMNASMN1; SMN2NPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499599-A1 SUBSTITUTED PYRAZINE DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2005-01-26 EP disclosed
WO-2003091225-A1 SUBSTITUTED PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-11-06 WO disclosed