SCHEMBL4088913

SCHEMBL4088913

COc1ccc2c(C3C[C@H](CN)c4ccccc43)c[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTR2B P41595 2/20 0.45
HTR2C P28335 2/20 0.45
MAPT P10636 5/20 0.43
IDO1 P14902 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR6 P50406 2/20 0.40
RECQL P46063 1/20 0.40
HRH1 P35367 1/20 0.39
HTR1A P08908 2/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
HTR1D P28221 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
SCHEMBL4106434 1.00 HTR2A (0.47) HTR2AMEN1KMT2AHTR2BHTR2C
SCHEMBL4097287 1.00 HTR2A (0.47) HTR2AMEN1KMT2AHTR2BHTR2C
SCHEMBL4088908 1.00 HTR2A (0.47) HTR2AMEN1KMT2AHTR2BHTR2C
SCHEMBL4091973 0.83 MAPT (0.46) HTR2AMEN1KMT2AHTR2BHTR2C
SCHEMBL4091963 0.83 MAPT (0.46) HTR2AMEN1KMT2AHTR2BHTR2C
SCHEMBL4091967 0.83 MAPT (0.46) HTR2AMEN1KMT2AHTR2BHTR2C
SCHEMBL4098668 0.82 IDO1 (0.49) HTR2AHTR2BHTR2CIDO1SLC6A4
SCHEMBL4098666 0.82 IDO1 (0.49) HTR2AHTR2BHTR2CIDO1SLC6A4
SCHEMBL4104350 0.82 HTR2A (0.46) HTR2AMEN1KMT2AHTR2BHTR2C
SCHEMBL4104347 0.82 HTR2A (0.46) HTR2AMEN1KMT2AHTR2BHTR2C

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-2057119-A1 3- (IH-INDOL- 3-YDINDAN-1-YLAMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY H. Lundbeck A/S (DK) 2009-05-13 EP disclosed
WO-2008025361-A1 3-(1H-INDOL-3-YL) INDAN-1-YLAMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY H. LUNDBECK A/S (DK) 2008-03-06 WO disclosed