SCHEMBL3597419

SCHEMBL3597419

CCOC(=O)CCC1CCN(c2ccc(C#N)c3ccccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.49
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL31042538 0.88 CHRM4 (0.49) MAPTALDH1A1SMN1; SMN2
SCHEMBL4228148 0.83 AR (0.51) AR
SCHEMBL6070324 0.82 AR (0.48) ARMAPT
SCHEMBL3611354 0.80 AR (0.61) AR
SCHEMBL3598414 0.79 AR (0.57) AR
SCHEMBL3607872 0.79 AR (0.59) AR
SCHEMBL31042555 0.79 CHRM4 (0.44) MAPT
SCHEMBL3605320 0.78 AR (0.58) AR
SCHEMBL3609225 0.77 AR (0.61) AR
SCHEMBL4235326 0.77 AR (0.48) AR

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-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed