SCHEMBL20224960

SCHEMBL20224960

CC(C)CCCc1cncnc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GPR84 Q9NQS5 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FUT7 Q11130 1/20 0.33
LMNA P02545 2/20 0.32
CYP2A6 P11509 1/20 0.31
PKM P14618 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL11439088 0.94 FUT7 (0.38) GRIN2DGRIN2AGRIN2BGRIN2CGPR84
SCHEMBL14021986 0.86 NOS3 (0.33)
SCHEMBL12197971 0.76 TDP1 (0.62) TDP1L3MBTL1CYP2A6HRH3
SCHEMBL21157758 0.76 GRM2 (0.39) GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL21946504 0.76 TDP1 (0.34) TDP1L3MBTL1CYP2A6
Bromide SCHEMBL18838899 0.75 TDP1 (0.61) TDP1L3MBTL1CYP2A6HRH3
SCHEMBL12495594 0.75 L3MBTL1 (0.50) TDP1L3MBTL1LMNAPKMHRH3
SCHEMBL10770756 0.74 SLC6A2 (0.41) LMNACYP2A6HRH3
SCHEMBL3169642 0.74 HRH1 (0.50) GRIN2DGRIN2AGRIN2BGRIN2CTDP1
SCHEMBL10518610 0.74 TYR (0.36) HRH3

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-20180154332-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING ION PAIRED-BONDED PHASES FOR SUPERCRITICAL FLUID CHROMATOGRAPHY WATERS TECHNOLOGIES CORPORATION 2018-06-07 US disclosed