SCHEMBL5241115

SCHEMBL5241115

OC1=Cc2ccccc2Cc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
GPR84 Q9NQS5 1/20 0.46
MAOA P21397 2/20 0.45
PTGS2 P35354 1/20 0.43
DRD2 P14416 4/20 0.42
DRD4 P21917 4/20 0.42
MAOB P27338 1/20 0.42
RNASEH1 O60930 1/20 0.40
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
TRPA1 O75762 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SRD5A2 P31213 1/20 0.38
BCHE P06276 1/20 0.38

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
SCHEMBL3986136 0.75 GPR84 (0.46) MTNR1AMTNR1BGPR84MAOAPTGS2
SCHEMBL6822295 0.75 MAOA (0.50) MAOAMAOBRNASEH1ALDH1A1KDM4E
SCHEMBL12215517 0.75 MTNR1A (0.44) MTNR1AMTNR1BGPR84MAOAPTGS2
SCHEMBL111535 0.74
SCHEMBL275380 0.73 MAOA (0.47) MTNR1AMTNR1BGPR84MAOAPTGS2
Fluorene SCHEMBL5496896 0.72 MAOA (0.56) MAOADRD2MAOBRNASEH1ALDH1A1
Fluorene SCHEMBL21837361 0.72 MAOA (0.56) MAOADRD2MAOBRNASEH1ALDH1A1
SCHEMBL11764526 0.72 MAOA (0.43) MTNR1AMTNR1BGPR84MAOAPTGS2
SCHEMBL7180542 0.71 PTGS2 (0.67) MTNR1AMTNR1BGPR84MAOAPTGS2
SCHEMBL29672905 0.71 PTGS2 (0.67) MTNR1AMTNR1BGPR84MAOAPTGS2

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-1824820-A2 SUBSTITUTED TETRACYCLIC TETRAHYDROFURAN,PYRROLIDINE AND TETRAHYDROTHIOPHENE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-29 EP disclosed
WO-2006061392-A2 SUBSTITUTED TETRACYCLIC TETRAHYDROFURAN, PYRROLIDINE AND TETRAHYDROTHIOPHENE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-15 WO disclosed