SCHEMBL8467835

SCHEMBL8467835

CCNCC#Cc1ccc(C2CCCCC2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
TMEM97 Q5BJF2 1/20 0.40
EBP Q15125 1/20 0.40
CTSK P43235 3/20 0.33
CTSS P25774 2/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
PTGDR Q13258 1/20 0.33
CEL P19835 2/20 0.33
SLC6A2 P23975 1/20 0.32
DPP4 P27487 1/20 0.31
CYP19A1 P11511 2/20 0.31
CYP11B2 P19099 1/20 0.31
OPRL1 P41146 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
SCHEMBL30493982 1.00 SIGMAR1 (0.40) SIGMAR1TMEM97EBPCTSKCTSS
SCHEMBL25317343 0.81 SIGMAR1 (0.38) SIGMAR1TMEM97EBPPTGDR2PTGDR
SCHEMBL29412738 0.78 SIGMAR1 (0.56) SIGMAR1TMEM97EBPSLC6A4CEL
SCHEMBL7325355 0.78 SIGMAR1 (0.56) SIGMAR1TMEM97EBPSLC6A4CEL
SCHEMBL26765552 0.77 SIGMAR1 (0.44) SIGMAR1TMEM97EBPSLC6A4
Hydrochloric Acid SCHEMBL9148670 0.77 SIGMAR1 (0.55) SIGMAR1TMEM97EBPCYP11B2
SCHEMBL8331479 0.77 SIGMAR1 (0.39) SIGMAR1TMEM97EBPPTGDR2PTGDR
SCHEMBL26765546 0.76 SIGMAR1 (0.43) SIGMAR1TMEM97EBPSLC6A4SLC6A3
Hydrochloric Acid SCHEMBL9151770 0.76 SIGMAR1 (0.43) SIGMAR1TMEM97EBPSLC6A4
Hydrochloric Acid SCHEMBL9319142 0.75 SIGMAR1 (0.42) SIGMAR1TMEM97EBPSLC6A4SLC6A3

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
EP-0917464-A1 USE OF AMINES TO PRODUCE DRUGS FOR PREVENTING TUMOUR CELL PROLIFERATION SANOFI (FR) 1999-05-26 EP disclosed
WO-1998004251-A1 USE OF AMINES TO PRODUCE DRUGS FOR PREVENTING TUMOUR CELL PROLIFERATION SANOFI (FR) 1998-02-05 WO disclosed