SCHEMBL4762585

SCHEMBL4762585

Cn1nc(-c2ccc3c(c2)c2cc(-c4cccc(Cl)c4Cl)c(=O)n(C)c2n3C)cc1CN1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DCTPP1 Q9H773 2/20 0.36
▸ CNR1 P21554 2/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ PDCD1LG2 Q9BQ51 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ MCHR1 Q99705 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PLA2G7 Q13093 1/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ ABHD6 Q9BV23 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ KAT2B Q92831 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ PARP2 Q9UGN5 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ALOX15 P16050 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
SCHEMBL3139962 0.88 MCHR1 (0.37) CNR1CNR2MCHR1SIGMAR1NPY1R
Hydrochloric Acid SCHEMBL1338816 0.88 MCHR1 (0.37) CNR1CNR2MCHR1SIGMAR1NPY1R
SCHEMBL3260114 0.81 ALPL (0.36) MCHR1ALDH1A1KDM4EPOLBMEN1
SCHEMBL3140076 0.80 MOK (0.38) CNR1CNR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1338233 0.74 GABRA1 (0.37) CNR1CNR2ALDH1A1KDM4ESIGMAR1
SCHEMBL1339358 0.73 CNR1 (0.38) CNR1CNR2ALDH1A1KDM4ESIGMAR1
SCHEMBL1337046 0.71 GABRG2 (0.42) CNR1CNR2ALDH1A1KDM4EHSD17B10
SCHEMBL3140152 0.70 HTT (0.38) CNR2ALDH1A1KDM4EPOLBKMT2A
Hydrochloric Acid SCHEMBL1339128 0.70 HTT (0.38) CNR2ALDH1A1KDM4EPOLBKMT2A
SCHEMBL1339487 0.70 MCHR1 (0.41) MCHR1ALDH1A1KDM4EHSD17B10HPGD

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-1940840-A1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-07-09 — — EP disclosed
WO-2007045758-A1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-04-26 — — WO disclosed
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