SCHEMBL20496339

SCHEMBL20496339

Cn1c(=O)[nH]c2ccc(CC(C)(C)Cc3cccc(Oc4ccnc(Cl)c4)c3)cc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.46
▸ PGR P06401 2/20 0.40
▸ PPARG P37231 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ HTR1A P08908 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ P2RX3 P56373 3/20 0.34
▸ CBX7 O95931 1/20 0.34
▸ CDYL2 Q8N8U2 1/20 0.34
▸ CDYL Q9Y232 1/20 0.34
▸ CDY1; CDY1B Q9Y6F8 1/20 0.34
▸ DAO P14920 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ CCR4 P51679 1/20 0.33
▸ OPRM1 P35372 1/20 0.33

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
SCHEMBL625952 0.71 LMNA (0.48) MAOBPGRLMNAHTR1ADRD2
SCHEMBL625846 0.71 MAOB (0.43) MAOBPGRLMNAHTR1ADRD2
SCHEMBL12867047 0.70 MAOB (0.51) MAOBPGRLMNAHTR1ADRD2
SCHEMBL626452 0.70 PGR (0.42) MAOBPGRPPARGLMNAHTR1A
SCHEMBL28967652 0.67 MAOB (0.62) MAOBPGRLMNA
SCHEMBL627485 0.67 MAOB (0.39) MAOBPGRLMNAHTR1ADRD2
SCHEMBL12881773 0.64 MAOB (0.52) MAOBPGRLMNAHTR1ADRD2
SCHEMBL11602317 0.64 BLM (0.51) MAOBPGRLMNAHTR1ADRD2
SCHEMBL12727792 0.64 MAOB (0.55) MAOBPGRLMNAHTR1ADRD2
SCHEMBL10146389 0.64 GRM2 (0.59) PPARGP2RX3

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-2603079-B1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME (US) 2018-09-19 — — EP claimed
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