SCHEMBL5315637

SCHEMBL5315637

O=C1CCCc2c(OCCCOc3ccc4c(c3)[N]c3ccccc3-4)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.45
MAOB P27338 11/20 0.45
MAOA P21397 9/20 0.45
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
ADRB3 P13945 1/20 0.41
TSHR P16473 1/20 0.41
SLC6A4 P31645 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
LTB4R Q15722 3/20 0.38
LTB4R2 Q9NPC1 3/20 0.38
TRPM2 O94759 1/20 0.37
PARP1 P09874 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL28350007 0.73 KCNA3 (0.54) MRGPRX4MAOBMAOAADRB2ADRB1
SCHEMBL11806193 0.73 MRGPRX4 (0.53) MRGPRX4MAOBMAOAADRB2ADRB1
SCHEMBL11127019 0.72 ABCB1 (0.53) MRGPRX4ADRB2ADRB1HTR1AADRB3
SCHEMBL28986027 0.72 MRGPRX4 (0.54) MRGPRX4MAOBMAOAADRB2ADRB1
SCHEMBL13481244 0.72 MRGPRX4 (0.54) MRGPRX4ADRB2ADRB1HTR1AADRB3
SCHEMBL30317439 0.72 MRGPRX4 (0.54) MRGPRX4MAOBMAOAADRB2ADRB1
SCHEMBL28346669 0.72 MAOB (0.50) MRGPRX4MAOBMAOAADRB2ADRB1
SCHEMBL5149581 0.72 MRGPRX4 (0.46) MRGPRX4MAOBMAOAADRB2ADRB1
SCHEMBL5316394 0.71 HCAR2 (0.40) MAOB
SCHEMBL1400472 0.71 PPARD (0.66)

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-2007071456-A1 FLUORENES AND CARBAZOLES AS LIGANDS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-06-28 WO disclosed