SCHEMBL22899006

SCHEMBL22899006

Cc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C)CC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 8/20 0.82
NPSR1 Q6W5P4 5/20 0.80
TSHR P16473 2/20 0.80
HTT P42858 2/20 0.80
MEN1 O00255 1/20 0.80
KMT2A Q03164 1/20 0.80
ATM Q13315 1/20 0.80
SLC1A3 P43003 7/20 0.77
LMNA P02545 4/20 0.77
KCNH2 Q12809 2/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
SLC1A1 P43005 4/20 0.73
HRH3 Q9Y5N1 2/20 0.70
MAPK1 P28482 1/20 0.70
HRH4 Q9H3N8 1/20 0.70
ALDH1A1 P00352 1/20 0.68
KDM4E B2RXH2 2/20 0.64
USP2 O75604 1/20 0.63
ALOX15 P16050 1/20 0.63
NPC1 O15118 1/20 0.60

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
SCHEMBL29761950 0.90 SLC1A3 (0.84) SLC1A2NPSR1TSHRHTTMEN1
SCHEMBL29761945 0.90 SLC1A2 (1.00) SLC1A2NPSR1TSHRHTTMEN1
SCHEMBL29761957 0.90 SLC1A2 (1.00) SLC1A2NPSR1TSHRHTTMEN1
SCHEMBL29761960 0.89 SLC1A2 (0.82) SLC1A2NPSR1TSHRHTTMEN1
SCHEMBL29761993 0.88 SLC1A2 (0.77) SLC1A2NPSR1TSHRHTTMEN1
SCHEMBL29761961 0.87 SLC1A2 (1.00) SLC1A2NPSR1TSHRHTTMEN1
SCHEMBL29761965 0.87 SLC1A2 (1.00) SLC1A2NPSR1TSHRHTTMEN1
SCHEMBL18326817 0.86 NPSR1 (0.70) SLC1A2NPSR1TSHRHTTMEN1
SCHEMBL29761979 0.85 SLC1A2 (1.00) SLC1A2NPSR1HTTKMT2ASLC1A3
SCHEMBL29761966 0.84 SLC1A2 (0.79) SLC1A2NPSR1TSHRHTTMEN1

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-2021011876-A2 MODULATORS OF EXCITATORY AMINO ACID TRANSPORTERS AND METHODS USING SAME THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2021-01-21 WO disclosed