SCHEMBL7544593

SCHEMBL7544593

CC(C)Oc1cn[c]nc1-c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.45
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
CBFB Q13951 1/20 0.37
KDM4E B2RXH2 4/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 3/20 0.36
CYP1A2 P05177 1/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
METAP1 P53582 1/20 0.36
BLM P54132 1/20 0.36
HIF1A Q16665 1/20 0.36
DOHH Q9BU89 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36

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
SCHEMBL558176 0.84 SMN1; SMN2 (0.48) TRPM8CBFBKDM4ENPC1LMNA
SCHEMBL7546903 0.83 TRPM8 (0.40) TRPM8ADRA2AADRA2BADRA2CKDM4E
SCHEMBL7547642 0.81 CBFB (0.42) CBFBKDM4ENPC1LMNAPOLB
SCHEMBL7550311 0.80 KDM4E (0.36) TRPM8KDM4ENPC1LMNAPOLB
SCHEMBL7546086 0.78 CYP2C9 (0.50) CYP1A2ADORA1TLR8
SCHEMBL20985616 0.73 KDM4E (0.45) KDM4ENPC1LMNAPOLBCYP1A2
SCHEMBL558611 0.72 KDM4E (0.43) KDM4ENPC1LMNAPOLBCYP1A2
SCHEMBL11546311 0.72 KDM4E (0.43) KDM4ENPC1LMNAPOLBCYP1A2
SCHEMBL8227740 0.70 ADRA2A (0.59) TRPM8ADRA2AADRA2BADRA2CCBFB
SCHEMBL3922236 0.69 KDM4E (0.39) KDM4ENPC1LMNAPOLBCYP1A2

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
WO-2002043680-A1 FIXATION OF CARBOHYDRATES TO FIBROUS MATERIALS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-06-06 WO disclosed
WO-2002043678-A2 ENZYMATIC FIXATION OF DERIVATISED CARBOHYDRATES TO FIBROUS MATERIALS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-06-06 WO disclosed