SCHEMBL3724596

SCHEMBL3724596

CCN1CCN(C2(C(=O)OCc3ccccc3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.50
OPRD1 P41143 2/20 0.50
OPRK1 P41145 2/20 0.50
ALDH1A1 P00352 2/20 0.48
HSD11B1 P28845 1/20 0.48
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL3719268 0.86 TSHR (0.46) ALDH1A1TMEM97SIGMAR1
SCHEMBL16102788 0.84 CYP3A4 (0.60) OPRM1OPRD1OPRK1ALDH1A1SIGMAR1
SCHEMBL18458294 0.82 KCNA3 (0.58) OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL3724255 0.81 DDB1 (0.48)
SCHEMBL25554839 0.81 TSHR (0.49)
SCHEMBL25793979 0.80 OPRM1 (0.54) OPRM1OPRD1OPRK1ALDH1A1HSD11B1
SCHEMBL3718049 0.79 MEN1 (0.48) OPRD1OPRK1MEN1NPC1KMT2A
SCHEMBL21876539 0.77 SMN1; SMN2 (0.54) OPRD1OPRK1MEN1NPC1KMT2A
SCHEMBL10243152 0.76 MEN1 (0.62) ALDH1A1HSD11B1CHRM1TMEM97SIGMAR1
SCHEMBL29239819 0.76 TSHR (0.53) OPRM1ALDH1A1SIGMAR1MEN1KMT2A

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-2010136778-A1 DIBENZOTHIOPHENE DERIVATIVES AS DNA- PK INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2010-12-02 WO disclosed
WO-2010136778-A1 DIBENZOTHIOPHENE DERIVATIVES AS DNA- PK INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2010-12-02 WO disclosed