SCHEMBL3819497

SCHEMBL3819497

CC(C)(C)N1CCN(c2ccc(CN)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.40
▸ GFER P55789 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ RAD52 P43351 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CHKA P35790 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PTK2B Q14289 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ CTSL P07711 2/20 0.37
▸ CTSB P07858 2/20 0.37
▸ CTSS P25774 2/20 0.37
▸ NCF1 P14598 3/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36

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
SCHEMBL12294725 0.84 HRH3 (0.48) MAPTGFERKDM4EGAARAD52
SCHEMBL13179270 0.84 KDM4E (0.49) MAPTGFERKDM4EGAARAD52
SCHEMBL24422230 0.82 CHKA (0.58) MAPTGFERKDM4EGAARAD52
SCHEMBL21933940 0.82 ESR1 (0.42) MAPTGFERKDM4EGAARAD52
SCHEMBL13838188 0.79 KDM4E (0.52) MAPTGFERKDM4EGAARAD52
SCHEMBL17876410 0.79 ADRB1 (0.52) MAPTGFERKDM4EGAASMN1; SMN2
SCHEMBL1476346 0.79 MAPT (0.62) MAPTGFERKDM4EGAARAD52
SCHEMBL111714 0.79 GAA (0.62) MAPTGFERKDM4EGAARAD52
SCHEMBL24422225 0.79 CHKA (0.44) MAPTCHKACTSLCTSBCTSS
SCHEMBL4544738 0.77 ADRB1 (0.53) MAPTSMN1; SMN2ALDH1A1KMT2AHSD17B10

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-2129675-A2 DERIVATIVES OF IMIDAZO, PYRIMIDO AND DIAZEPINE PYRIMIDINE-DIONE, AND USE THEREOF AS A DRUG IPSEN PHARMA S.A.S. (FR) 2009-12-09 — — EP disclosed
WO-2008090286-A2 DERIVATIVES OF IMIDAZO, PYRIMIDO AND DIAZEPINE PYRIMIDINE-DIONE, AND USE THEREOF AS A DRUG IPSEN PHARMA S.A.S. (FR) 2008-07-31 — — WO disclosed
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