SCHEMBL6503677

SCHEMBL6503677

COc1cc2c(cc1S(=O)(=O)c1ccc(N3[C@@H]4CC[C@H]3CC(Oc3ccc(F)cc3)C4)cc1)CCN(C)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.41
PDE4D Q08499 1/20 0.41
KMT2A Q03164 1/20 0.39
MAOB P27338 1/20 0.39
NAAA Q02083 1/20 0.38
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
DRD3 P35462 1/20 0.36
HTR6 P50406 1/20 0.36
PKM P14618 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL12385993 1.00 PDE4B (0.41) PDE4BPDE4DKMT2AMAOBNAAA
SCHEMBL15255493 0.90 HTR2C (0.41) PDE4BPDE4DKMT2AMAOBNAAA
SCHEMBL12222661 0.89 NAAA (0.41) PDE4BPDE4DNAAAHTR2AHTR2C
SCHEMBL6505255 0.86 MAOB (0.45) PDE4BPDE4DKMT2AMAOBHTR2A
SCHEMBL3903162 0.82 MAOB (0.48) KMT2AMAOBDRD2HTR2AHTR2C
SCHEMBL6509242 0.80 MAOB (0.54) KMT2AMAOBHTR2AHTR2CHTR6
Hydrochloric Acid SCHEMBL6504357 0.79 MAOB (0.53) KMT2AMAOBHTR2AHTR2CHTR6
SCHEMBL3895372 0.76 KMT2A (0.48) KMT2AMAOBDRD2HTR2AHTR2C
SCHEMBL6500880 0.75 LMNA (0.51) PDE4BPDE4DKMT2ADRD2DRD3
SCHEMBL6517175 0.74 KMT2A (0.43) KMT2AMAOBDRD2HTR2AHTR2C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005014578-A1 PHENYLSULFONYL COMPOUNDS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-02-17 WO claimed
WO-2005051381-A1 Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 WO disclosed
WO-2005014578-A1 PHENYLSULFONYL COMPOUNDS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-02-17 WO disclosed