SCHEMBL4080001

SCHEMBL4080001

N[C@H]1CC(c2c[nH]c3ccccc23)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.61
HTR2A P28223 3/20 0.61
HTR2B P41595 3/20 0.61
IDO1 P14902 3/20 0.50
LMNA P02545 2/20 0.50
ADRB2 P07550 1/20 0.47
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 1/20 0.46
PDE4D Q08499 1/20 0.45
SLC6A4 P31645 1/20 0.44
AR P10275 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 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
SCHEMBL4537758 1.00 HTR2C (0.61) HTR2CHTR2AHTR2BIDO1LMNA
SCHEMBL4408892 1.00 HTR2C (0.61) HTR2CHTR2AHTR2BIDO1LMNA
SCHEMBL4537756 1.00 HTR2C (0.61) HTR2CHTR2AHTR2BIDO1LMNA
SCHEMBL4079998 1.00 HTR2C (0.61) HTR2CHTR2AHTR2BIDO1LMNA
SCHEMBL4408888 1.00 HTR2C (0.61) HTR2CHTR2AHTR2BIDO1LMNA
SCHEMBL4110092 0.83 IDO1 (0.52) HTR2CHTR2AHTR2BIDO1GAA
SCHEMBL4107338 0.82 HTR2C (0.54) HTR2CHTR2AHTR2BIDO1LMNA
SCHEMBL4054091 0.82 HTR2C (0.54) HTR2CHTR2AHTR2BIDO1LMNA
SCHEMBL4096972 0.82 HTR2C (0.54) HTR2CHTR2AHTR2BIDO1LMNA
SCHEMBL4097294 0.80 HTR2C (0.53) HTR2CHTR2AHTR2BIDO1LMNA

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