SCHEMBL7088077

SCHEMBL7088077

CCCCCc1c[nH]c2ccc(Oc3c(Cl)c[c]cc3Br)cc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.47
HTR1B P28222 12/20 0.47
HTR1D P28221 9/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP2D6 P10635 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
HTR2A P28223 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SLC6A4 P31645 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.40

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
SCHEMBL7085304 0.93 HTR1B (0.52) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL7090659 0.93 HTR1A (0.52) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL7087428 0.92 HTR1B (0.53) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL6987463 0.92 HTR1A (0.53) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL7084332 0.81 HTR1B (0.56) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL7088686 0.80 HTR1B (0.57) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL6512243 0.79 THRA (0.48) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL6520749 0.78 HTR1A (0.45) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL6512728 0.78 THRA (0.48) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL6512172 0.78 HTR1A (0.46) HTR1AHTR1BHTR1DMAPTMAPK1

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-1347959-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS Bayer Aktiengesellschaft (DE) 2003-10-01 EP disclosed
WO-2002051805-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 WO disclosed