SCHEMBL8109748

SCHEMBL8109748

CC(C)C1CC(Oc2ccc(Cl)cn2)CCN1Cc1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.41
MMP1 P03956 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
FPR2 P25090 1/20 0.37
PROKR1 Q8TCW9 1/20 0.37
FAAH O00519 1/20 0.37
SLC6A4 P31645 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNA7 P36544 1/20 0.35
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
CHRM2 P08172 1/20 0.34

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
SCHEMBL8109751 0.84 SCN9A (0.38) SCN9AKDM4EPOLBFPR2PROKR1
SCHEMBL2238309 0.77 KCNH2 (0.57) OPRK1KCNH2
Fumaric Acid SCHEMBL2234450 0.72 KCNH2 (0.59) OPRK1KCNH2
Fumaric Acid SCHEMBL2234437 0.72 KCNH2 (0.59) OPRK1KCNH2
SCHEMBL26971168 0.72 KDM4E (0.58) HRH3KDM4EPOLBALDH1A1GAA
SCHEMBL8109750 0.71 MMP1 (0.46) MMP1HRH3FPR2PROKR1
SCHEMBL20069052 0.69 HRH3 (0.56) MMP1HRH3FPR2PROKR1
SCHEMBL2234446 0.68 KCNH2 (0.41) MMP1KDM4EFAAHCHRNB2CHRNA4
SCHEMBL17339936 0.66 FPR2 (0.57) MMP1HRH3POLBFPR2PROKR1
SCHEMBL8290762 0.65 KDM4E (0.69) HRH3KDM4EPOLBALDH1A1CHRNB2

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-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed