SCHEMBL3668878

SCHEMBL3668878

COc1cccc(CN2CCCc3cc(OCc4ccccc4)c(OC)cc3C2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REV1 Q9UBZ9 1/20 0.66
SIGMAR1 Q99720 3/20 0.61
TMEM97 Q5BJF2 2/20 0.61
CHRNA7 P36544 2/20 0.59
CHRM2 P08172 1/20 0.53
HTR1A P08908 1/20 0.53
CHRM3 P20309 1/20 0.53
DRD4 P21917 1/20 0.53
ADRA1D P25100 1/20 0.53
HTR2C P28335 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
DRD3 P35462 1/20 0.53
HTR2B P41595 1/20 0.53
SLC6A3 Q01959 1/20 0.53
ABCB1 P08183 8/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ABCC1 P33527 2/20 0.51

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
SCHEMBL3059849 0.94 REV1 (0.74) REV1SIGMAR1TMEM97CHRNA7CHRM2
SCHEMBL3165278 0.91 REV1 (0.73) REV1SIGMAR1TMEM97CHRNA7ABCB1
SCHEMBL3048990 0.91 REV1 (0.77) REV1SIGMAR1TMEM97CHRNA7ABCB1
SCHEMBL3055739 0.88 REV1 (0.72) REV1SIGMAR1TMEM97CHRNA7CHRM2
SCHEMBL3055433 0.87 REV1 (0.70) REV1SIGMAR1TMEM97CHRNA7CHRM2
SCHEMBL3046464 0.86 REV1 (0.64) REV1SIGMAR1TMEM97CHRNA7ABCB1
SCHEMBL3052241 0.86 REV1 (0.76) REV1SIGMAR1TMEM97CHRNA7CHRM2
SCHEMBL3059029 0.85 REV1 (0.62) REV1SIGMAR1TMEM97CHRNA7ABCB1
SCHEMBL3045901 0.85 REV1 (0.68) REV1SIGMAR1TMEM97CHRNA7CHRM2
SCHEMBL3050371 0.84 REV1 (0.84) REV1CHRNA7ABCB1KMT2AABCC1

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-2155192-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS Sterix Limited (GB) 2010-02-24 EP disclosed
WO-2008117061-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LIMITED (GB) 2008-10-02 WO disclosed