SCHEMBL8109751

SCHEMBL8109751

CCCC1CC(Oc2ccc(Cl)cn2)CCN1Cc1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
FPR2 P25090 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36
FAAH O00519 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
SLC6A4 P31645 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNA7 P36544 2/20 0.35
CHRNA4 P43681 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 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
SCHEMBL8109748 0.84 SCN9A (0.41) SCN9AKDM4EPOLBFPR2PROKR1
SCHEMBL2238309 0.76 KCNH2 (0.57)
Fumaric Acid SCHEMBL2234450 0.69 KCNH2 (0.59)
Fumaric Acid SCHEMBL2234437 0.69 KCNH2 (0.59)
SCHEMBL8109750 0.66 MMP1 (0.46) FPR2PROKR1
SCHEMBL10058621 0.66 FPR2 (0.38) FPR2PROKR1
SCHEMBL13627667 0.66 FPR2 (0.38) FPR2PROKR1
SCHEMBL17339936 0.66 FPR2 (0.57) POLBFPR2PROKR1
SCHEMBL2234446 0.65 KCNH2 (0.41) KDM4EFAAHCHRNB2CHRNA7CHRNA4
SCHEMBL21937561 0.65 KDM4E (0.60) KDM4EPOLBCHRM2CHRM1CHRM3

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