SCHEMBL3350544

SCHEMBL3350544

Cn1ccc(Oc2ccc(Cl)cc2Oc2ccc(F)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.54
HTR2B P41595 4/20 0.54
HTR2A P28223 9/20 0.46
SLC6A4 P31645 9/20 0.46
KCNH2 Q12809 9/20 0.46
HDAC8 Q9BY41 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
APEX1 P27695 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 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
SCHEMBL3348321 0.74 HTR2C (0.52) HTR2CHTR2BSLC6A4ALDH1A1KMT2A
SCHEMBL10361712 0.72 HTR2C (0.51) HTR2CHTR2BHTR2ASLC6A4KCNH2
SCHEMBL2282000 0.70 HTR2C (1.00) HTR2CHTR2BSLC6A4
SCHEMBL2282006 0.70 HTR2C (1.00) HTR2CHTR2BSLC6A4
SCHEMBL24252977 0.69 HTR2C (0.48) HTR2CHTR2BHTR2ASLC6A4KCNH2
SCHEMBL5989716 0.69 HTR2C (0.48) HTR2CHTR2BHTR2ASLC6A4KCNH2
SCHEMBL7182380 0.69 TTR (0.58) HTR2CHTR2BHTR2ASLC6A4KCNH2
SCHEMBL30451605 0.69 HTR2C (0.48) HTR2CHTR2BHTR2ASLC6A4KCNH2
SCHEMBL2551468 0.69 MAPT (0.56) HTR2CHTR2BHTR2ASLC6A4KCNH2
SCHEMBL19563733 0.69 EPAS1 (0.49) HTR2CHTR2BHTR2ASLC6A4KCNH2

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-2010059393-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-05-27 WO claimed