SCHEMBL14611762

SCHEMBL14611762

CC(C)(C)OC(=O)CNNc1ccc(-c2ccc3c(c2)C2C=CCC2C(c2cc4c(cc2Br)OCO4)N3)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPER1 Q99527 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
GPR183 P32249 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
MAPT P10636 6/20 0.53
TDP1 Q9NUW8 3/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 4/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
AR P10275 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 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
SCHEMBL14611672 0.91 GPER1 (0.54) GPER1L3MBTL1GPR183NPC1RAB9A
SCHEMBL12722292 0.90 GPER1 (0.58) GPER1L3MBTL1GPR183NPC1RAB9A
SCHEMBL917263 0.80 GPER1 (0.57) GPER1L3MBTL1GPR183NPC1RAB9A
SCHEMBL916034 0.79 GPER1 (0.56) GPER1L3MBTL1GPR183NPC1RAB9A
SCHEMBL15107073 0.78 GPER1 (0.60) GPER1L3MBTL1GPR183NPC1RAB9A
SCHEMBL12722694 0.78 L3MBTL1 (0.57) GPER1L3MBTL1GPR183NPC1RAB9A
SCHEMBL12700959 0.77 L3MBTL1 (0.78) GPER1L3MBTL1GPR183NPC1RAB9A
SCHEMBL916068 0.75 GPER1 (0.62) GPER1L3MBTL1GPR183NPC1RAB9A
SCHEMBL915699 0.73 GPER1 (0.52) GPER1L3MBTL1GPR183NPC1RAB9A
SCHEMBL916384 0.73 GPER1 (0.51) GPER1L3MBTL1GPR183NPC1RAB9A

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
WO-2007019180-A2 COMPOUNDS FOR BINDING TO ERALPHA/BETA AND GPR30, METHODS OF TREATING DISEASE STATES AND CONDITIONS MEDIATED THROUGH THESE RECEPTORS AND IDENTIFICATION THEREOF SCIENCE & TECHNOLOGY CORPORATION @ UNM (US) 2007-02-15 WO disclosed