SCHEMBL3348321

SCHEMBL3348321

Cn1ccc(Oc2ccc(Cl)cc2OCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.52
HTR2B P41595 3/20 0.52
PTGER1 P34995 5/20 0.46
SLC6A4 P31645 3/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTR6 P50406 2/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
JAK2 O60674 1/20 0.42
ZAP70 P43403 1/20 0.42

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
SCHEMBL3348259 0.80 SLC6A4 (0.48) PTGER1SLC6A4ALDH1A1LMNAHTT
SCHEMBL3350544 0.74 HTR2C (0.54) HTR2CHTR2BSLC6A4MEN1KMT2A
SCHEMBL22894882 0.70 PTGDR2 (0.58) HTR2CHTR2BPTGER1SLC6A4MEN1
SCHEMBL13144443 0.70 MRGPRX4 (0.68) HTR2CHTR2BPTGER1SLC6A4MEN1
SCHEMBL17589345 0.70 MRGPRX4 (0.66) HTR2CHTR2BPTGER1SLC6A4MEN1
SCHEMBL27804382 0.69 MEN1 (0.56) HTR2CHTR2BPTGER1SLC6A4MEN1
SCHEMBL14871868 0.69 CYP1A2 (0.56) SLC6A4MEN1KMT2AATMLMNA
SCHEMBL20064612 0.69 SLC6A4 (0.56) HTR2CHTR2BPTGER1SLC6A4MEN1
SCHEMBL27804380 0.69 SLC6A4 (0.52) HTR2CHTR2BPTGER1SLC6A4MEN1
SCHEMBL2283229 0.68 HTR2C (1.00) HTR2CHTR2BSLC6A4HTR6

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