SCHEMBL21443855

SCHEMBL21443855

O=Cc1cccc2c1CCCCCCN2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 1/20 0.36
▸ GRIA2 P42262 1/20 0.36
▸ GRIA3 P42263 1/20 0.36
▸ GRIA4 P48058 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CTRC Q99895 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ ERN1 O75460 2/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ FKBP5 Q13451 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ BCHE P06276 1/20 0.31

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
SCHEMBL5248954 0.93 GRIA1 (0.41) GRIA1GRIA2GRIA3GRIA4MEN1
SCHEMBL5335092 0.86 NOTUM (0.40) MEN1LMNATHRBBLMKMT2A
SCHEMBL29627844 0.86 NOTUM (0.40) MEN1LMNATHRBBLMKMT2A
SCHEMBL4206469 0.80 BCHE (0.39) GRIA1GRIA2GRIA3GRIA4MEN1
SCHEMBL27707619 0.75 GRIA1 (0.37) GRIA1GRIA2GRIA3GRIA4TSHR
SCHEMBL9267430 0.74 PARP1 (0.42) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL19249411 0.73 BCL2L1 (0.48) MEN1LMNATHRBBLMKMT2A
SCHEMBL6221804 0.73 PARP1 (0.44) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL31170775 0.73 PARP1 (0.44) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL31170771 0.72 NOTUM (0.44) GRIA1GRIA2GRIA3GRIA4MEN1

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-2811993-B1 METHODS OF TREATING FIBROSIS NOGRA PHARMA LTD (IE) 2019-10-09 — — EP disclosed
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