SCHEMBL28031701

SCHEMBL28031701

CN(C)CC1CCc2cc(-c3ccccc3)ccc2C1=O

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 4/20 0.57
THRA P10827 1/20 0.55
THRB P10828 1/20 0.55
DGAT1 O75907 1/20 0.54
METAP1 P53582 7/20 0.52
CYP24A1 Q07973 3/20 0.49
CYP27A1 Q02318 2/20 0.49

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
SCHEMBL8014606 0.87 METAP1 (0.59) CYP26A1THRATHRBMETAP1CYP24A1
SCHEMBL7592165 0.87 METAP1 (0.59) CYP26A1THRATHRBMETAP1CYP24A1
SCHEMBL2125675 0.82 METAP1 (0.71) THRATHRBMETAP1
SCHEMBL8003063 0.82 METAP1 (0.71) THRATHRBMETAP1
Hydrochloric Acid SCHEMBL2125507 0.80 METAP1 (0.72) THRATHRBMETAP1
SCHEMBL11730548 0.80 THRA (0.58) CYP26A1THRATHRBMETAP1CYP24A1
SCHEMBL11724446 0.80 METAP1 (0.72) CYP26A1THRATHRBMETAP1CYP24A1
SCHEMBL8012038 0.78 METAP1 (0.78) CYP26A1THRATHRBMETAP1CYP24A1
SCHEMBL7590283 0.78 METAP1 (0.78) CYP26A1THRATHRBMETAP1CYP24A1
Hydrochloric Acid SCHEMBL10341505 0.77 METAP1 (0.78) CYP26A1THRATHRBMETAP1CYP24A1

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
CN-105017037-A 6-substituted aryl amino methyl tetrahydronaphthalene derivative or salt thereof and preparation method and application of 6-substituted aryl amino methyl tetrahydronaphthalene derivative UNIV FUDAN 2015-11-04 CN disclosed