SCHEMBL4669565

SCHEMBL4669565

COc1ccc2c(c1)CCN(C(C)=O)C2c1cc(Cl)c(OC)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
MTNR1B P49286 2/20 0.51
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
TRPV1 Q8NER1 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MTNR1A P48039 1/20 0.44
DRD1 P21728 1/20 0.44
GRIN2C Q14957 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43

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 0.93 TSHR (0.58) TSHRMTNR1BMEN1KMT2ATRPV1
SCHEMBL985807 0.92 TSHR (0.47) TSHRMTNR1BMEN1KMT2ATRPV1
SCHEMBL987520 0.91 MEN1 (0.45) TSHRMTNR1BMEN1KMT2ATRPV1
SCHEMBL985641 0.85 CA1 (0.54) TSHRMTNR1BTRPV1CA1CA2
SCHEMBL4671224 0.84 MTNR1B (0.49) TSHRMTNR1BMEN1KMT2ATRPV1
SCHEMBL986456 0.84 EDNRA (0.49) TSHRMTNR1BMEN1KMT2ATRPV1
SCHEMBL985851 0.84 MTNR1B (0.56) TSHRMTNR1BMEN1KMT2ACA1
SCHEMBL983323 0.83 CA1 (0.47) MTNR1BCA1CA2CA9CA14
SCHEMBL986059 0.83 TRPV1 (0.42) TSHRMEN1KMT2ATRPV1SMN1; SMN2
SCHEMBL4673800 0.83 MTNR1B (0.52) TSHRMTNR1BMEN1KMT2ATRPV1

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