SCHEMBL14968227

SCHEMBL14968227

COc1cc(OCc2ccccc2)ccc1C(C=O)N1CCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
MAOB P27338 2/20 0.42
REV1 Q9UBZ9 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ERN1 O75460 1/20 0.41
APP P05067 2/20 0.40
MAOA P21397 1/20 0.40
HTR7 P34969 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL14968335 0.86 NPC1 (0.46) HRH3MAOBNPC1RAB9AMEN1
SCHEMBL14968342 0.84 S1PR1 (0.43) HRH3MAOBNPC1RAB9AMEN1
SCHEMBL13784398 0.75 MAOB (0.55) HRH3MAOBMEN1KMT2A
SCHEMBL4656889 0.72 L3MBTL1 (0.49) MAOB
SCHEMBL435043 0.72 ALDH1A1 (0.61) MAOBNPC1RAB9AERN1APP
SCHEMBL21436935 0.70 HDAC8 (0.51) MAOBNPC1RAB9AAPP
SCHEMBL26549169 0.70 LTA4H (0.51) MAOB
SCHEMBL14970601 0.70 KDM4E (0.60) NPC1RAB9AMEN1KMT2AAPP
SCHEMBL7744533 0.69 MAOB (0.51) MAOBRAB9ACASP3SENP8SENP7
SCHEMBL2090976 0.69 MAOB (0.62) MAOBKMT2AAPP

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-2780337-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS Merck Sharp & Dohme Corp. (US) 2014-09-24 EP disclosed
WO-2013074388-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME CORP. (US) 2013-05-23 WO disclosed