SCHEMBL4674467

SCHEMBL4674467

COc1ccc2c(c1)CCN(C(C)=O)C2c1cc(C)cc(C)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.54
TSHR P16473 1/20 0.54
CA1 P00915 9/20 0.53
CA2 P00918 9/20 0.53
CA9 Q16790 9/20 0.53
CA14 Q9ULX7 9/20 0.53
CA7 P43166 2/20 0.53
CA12 O43570 1/20 0.53
DRD1 P21728 1/20 0.49
NOTUM Q6P988 1/20 0.48
TAS2R14 Q9NYV8 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MTNR1A P48039 1/20 0.47

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
SCHEMBL985851 0.90 MTNR1B (0.56) MTNR1BTSHRCA1CA2CA9
SCHEMBL985641 0.87 CA1 (0.54) MTNR1BTSHRCA1CA2CA9
SCHEMBL987511 0.87 CA1 (0.54) MTNR1BTSHRCA1CA2CA9
SCHEMBL4669566 0.87 CA1 (0.54) MTNR1BTSHRCA1CA2CA9
SCHEMBL985355 0.86 TSHR (0.58) MTNR1BTSHRCA1CA2CA9
SCHEMBL4673800 0.85 MTNR1B (0.52) MTNR1BTSHRCA1CA2CA9
SCHEMBL4673855 0.84 TSHR (0.51) MTNR1BTSHRCA1CA2CA9
SCHEMBL987237 0.82 MTNR1B (0.51) MTNR1BTSHRCA1CA2CA9
SCHEMBL4669565 0.82 TSHR (0.53) MTNR1BTSHRCA1CA2CA9
SCHEMBL4674938 0.80 CA1 (0.53) MTNR1BTSHRCA1CA2CA9

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