SCHEMBL9080373

SCHEMBL9080373

CN(C)C(=O)C(O)c1c(-c2ccccc2)nc2n3c4c(cccc4n12)CC3

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ TSHR P16473 3/20 0.33
▸ CYP46A1 Q9Y6A2 1/20 0.32
▸ NR4A2 P43354 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ HSD11B2 P80365 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MCL1 Q07820 1/20 0.30
▸ FABP3 P05413 1/20 0.30
▸ FABP4 P15090 1/20 0.30
▸ FABP5 Q01469 1/20 0.30

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
SCHEMBL9279045 0.94 MCL1 (0.38) NPSR1ALDH1A1TSHRLMNAKDM4E
SCHEMBL9077919 0.92 AHR (0.34) MAPTCYP46A1KDM4EKMT2A
SCHEMBL9079251 0.89 NPSR1 (0.34) NPSR1ALDH1A1MAPTTSHRCYP46A1
SCHEMBL9079247 0.79 NR4A2 (0.39) NR4A2LMNAKDM4ESMN1; SMN2
SCHEMBL9078562 0.75 KDM4E (0.35) NPSR1ALDH1A1MAPTTSHRNR4A2
SCHEMBL9277713 0.74 NR4A2 (0.38) ALDH1A1NR4A2LMNAKDM4EMCL1
SCHEMBL9080914 0.73 KDM4E (0.39) NPSR1ALDH1A1MAPTTSHRLMNA
SCHEMBL9079782 0.73 MTNR1B (0.35) NPSR1ALDH1A1MAPTTSHRNR4A2
SCHEMBL9257773 0.72 ADORA2B (0.37) ALDH1A1MAPTTSHRNR4A2LMNA
SCHEMBL9079825 0.71 GABRA1 (0.48) MAPTCYP46A1LMNAKDM4EKMT2A

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
US-5512590-A PREVENTS DISORDER OF GABAERGIC TRANSMISSION SYNTHELABO (FR) 1996-04-30 — — US disclosed
EP-0682025-A1 5,6-dihydro-4H-imidazo 2',1':2,3 imidazo 4,5,1-ij quinoline and 4,5-dihydroimidazo 1,2-a pyrrolo 1,2,3-cd benzimidazol derivatives SYNTHELABO (FR) 1995-11-15 — — EP disclosed
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