SCHEMBL4669537

SCHEMBL4669537

COc1cc(C2c3ccc(C)cc3CCN2C(C)=O)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
TRPV1 Q8NER1 3/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
TSHR P16473 1/20 0.47
MTNR1B P49286 1/20 0.46
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
XBP1 P17861 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44

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
SCHEMBL985355 0.89 TSHR (0.58) SMN1; SMN2TRPV1MEN1KMT2ATSHR
SCHEMBL4671224 0.85 MTNR1B (0.49) SMN1; SMN2TRPV1MEN1KMT2ATSHR
SCHEMBL986456 0.84 EDNRA (0.49) SMN1; SMN2TRPV1MEN1KMT2ATSHR
SCHEMBL4669565 0.82 TSHR (0.53) SMN1; SMN2TRPV1MEN1KMT2ATSHR
SCHEMBL986756 0.81 PARP1 (0.45) SMN1; SMN2TRPV1MEN1KMT2ATSHR
SCHEMBL4674467 0.79 MTNR1B (0.54) MEN1KMT2ATSHRMTNR1B
SCHEMBL987520 0.78 MEN1 (0.45) SMN1; SMN2TRPV1MEN1KMT2ATSHR
SCHEMBL985851 0.76 MTNR1B (0.56) SMN1; SMN2MEN1KMT2ATSHRMTNR1B
SCHEMBL985807 0.75 TSHR (0.47) SMN1; SMN2TRPV1MEN1KMT2ATSHR
SCHEMBL986059 0.75 TRPV1 (0.42) SMN1; SMN2TRPV1MEN1KMT2ATSHR

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
EP-1732898-B1 TETRAHYDROISOQUINOLINE- AND TETRAHYDROBENZAZEPINE DERIVATIVES AS IGF-1R INHIBITORS ANALYTECON SA (CH) 2008-01-23 EP disclosed