SCHEMBL5202640

SCHEMBL5202640

CCCCn1cc(C2CCN(C(=O)C3=Cc4cc(Cl)ccc4OC3)C2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
CNR2 P34972 5/20 0.40
TPSAB1 Q15661 2/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
SLC2A1 P11166 1/20 0.37
CNR1 P21554 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36
HTT P42858 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
SCHEMBL5203622 0.88 SLC2A1 (0.46) HRH2HTR2AHTR2CHTR2BMEN1
SCHEMBL5238287 0.79 SLC2A1 (0.41) HRH2HTR2AHTR2CHTR2BCNR2
SCHEMBL5204952 0.75 HRH2 (0.55) HRH2HTR2AHTR2CHTR2BCNR2
SCHEMBL5205873 0.74 HRH2 (0.51) HRH2HTR2AHTR2CHTR2BCNR2
SCHEMBL5205803 0.73 HRH2 (0.50) HRH2HTR2AHTR2CHTR2BCNR2
SCHEMBL5203433 0.73 TPSAB1 (0.50) HRH2HTR2AHTR2CHTR2BCNR2
SCHEMBL4849757 0.72 HRH2 (0.47) HRH2HTR2AHTR2CHTR2BCNR2
SCHEMBL5201671 0.70 ALDH1A1 (0.51) HRH2HTR2AHTR2CHTR2BCNR2
SCHEMBL4859740 0.69 HTR2A (0.46) HRH2HTR2AHTR2CHTR2BCNR2
SCHEMBL27559062 0.69 HRH2 (0.59) HRH2HTR2AHTR2CHTR2BCNR2

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
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP claimed