SCHEMBL4729482

SCHEMBL4729482

CCOC(=O)c1nn(-c2ccc(F)cc2F)c2c1C(C)(C)Oc1cc(I)ccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ CNR1 P21554 4/20 0.37
▸ GABRG2 P18507 4/20 0.37
▸ GABRB3 P28472 4/20 0.37
▸ GABRA5 P31644 4/20 0.37
▸ CNR2 P34972 3/20 0.37
▸ GABRA2 P47869 2/20 0.37
▸ GABRB2 P47870 2/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.36
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ CYP1A2 P05177 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
SCHEMBL4728434 0.87 L3MBTL1 (0.39) CNR1CNR2L3MBTL1
SCHEMBL4779852 0.85 KDM4E (0.48) SMN1; SMN2KDM4EMAPTALDH1A1MEN1
SCHEMBL4782013 0.83 PDE4B (0.45) SMN1; SMN2KDM4EMAPTNPSR1ALDH1A1
SCHEMBL4730476 0.81 CNR1 (0.45) KDM4EMAPTMEN1KMT2ACNR1
Hydrochloric Acid SCHEMBL4783070 0.79 CNR1 (0.52) LMNAMAPTNPSR1CNR1CNR2
SCHEMBL4728429 0.79 MARS1 (0.35) KDM4ELMNAMAPTNPSR1MEN1
SCHEMBL4729374 0.79 CNR2 (0.36) KDM4ELMNAMAPTNPSR1ALDH1A1
SCHEMBL4728229 0.77 KDM4E (0.47) KDM4EMAPTMEN1KMT2ACNR1
SCHEMBL4728284 0.77 CNR2 (0.38) NPSR1ALDH1A1CNR1CNR2
SCHEMBL4727572 0.77 CNR1 (0.49) KDM4EMAPTMEN1KMT2ACNR1

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
WO-2008035356-A2 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-03-27 — — WO disclosed
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