SCHEMBL625952

SCHEMBL625952

Cn1c(=O)[nH]c2ccc(CC(C)(C)CBr)cc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.48
▸ MAOB P27338 4/20 0.47
▸ PGR P06401 2/20 0.43
▸ HTR1A P08908 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ BRD4 O60885 2/20 0.38
▸ DYRK1A Q13627 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ B3GNT2 Q9NY97 1/20 0.34
▸ DAO P14920 1/20 0.34

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
SCHEMBL625846 0.86 MAOB (0.43) LMNAMAOBPGRHTR1ADRD2
SCHEMBL12867047 0.85 MAOB (0.51) LMNAMAOBPGRHTR1ADRD2
SCHEMBL627485 0.81 MAOB (0.39) LMNAMAOBPGRHTR1ADRD2
SCHEMBL19642918 0.80 MAOB (0.51) LMNAMAOBPGRHTR1ADRD2
SCHEMBL626452 0.78 PGR (0.42) LMNAMAOBPGRHTR1ADRD2
SCHEMBL12881773 0.78 MAOB (0.52) LMNAMAOBPGRHTR1ADRD2
SCHEMBL11602317 0.77 BLM (0.51) LMNAMAOBPGRHTR1ADRD2
SCHEMBL12727792 0.77 MAOB (0.55) LMNAMAOBPGRHTR1ADRD2
Hydrochloric Acid SCHEMBL11601519 0.76 BLM (0.50) LMNAMAOBPGRHTR1ADRD2
SCHEMBL20529102 0.76 MAOB (0.53) LMNAMAOBPGRHTR1ADRD2

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-2603079-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 Merck Sharp & Dohme Corp. (US) 2013-06-19 — — EP disclosed
WO-2012021382-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2012-02-16 — — WO disclosed
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