SCHEMBL4057053

SCHEMBL4057053

c1ccc2c(c1)CCC2c1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.51
ADRB2 P07550 1/20 0.51
IDO1 P14902 3/20 0.50
AR P10275 1/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ATM Q13315 1/20 0.49
HTR2A P28223 3/20 0.49
HTR2B P41595 3/20 0.49
ADRA1A P35348 1/20 0.48
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
PDE4D Q08499 1/20 0.45
HSD11B1 P28845 1/20 0.44
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43

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
SCHEMBL30127594 1.00 HTR2C (0.51) HTR2CADRB2IDO1ARLMNA
SCHEMBL19760706 0.79 IDO1 (0.59) HTR2CADRB2IDO1LMNAKDM4E
SCHEMBL29611992 0.79 IDO1 (0.59) HTR2CADRB2IDO1LMNAKDM4E
SCHEMBL3068128 0.76 PRCP (0.54) HTR2CADRB2ARHTR2AHTR2B
SCHEMBL4307711 0.75 SLC6A2 (0.56) KDM4EATM
SCHEMBL734917 0.73 HTR2C (0.79) HTR2CADRB2KDM4EATMHTR2A
SCHEMBL3264403 0.73 IDO1 (0.56) HTR2CADRB2IDO1LMNAKDM4E
SCHEMBL6215744 0.73 HTR2C (0.47) HTR2CADRB2IDO1LMNAKDM4E
SCHEMBL31536293 0.73 HTR2C (0.47) HTR2CADRB2IDO1ARLMNA
SCHEMBL2083374 0.73 PLA2G6 (0.49) IDO1LMNAKDM4EADRA1AGAA

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
WO-2009106559-A1 USES OF INDANE COMPOUNDS H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed
CN-101472890-A 3- (1H-indol- 3-ydindan-1-ylamine derivatives for the treatment of depression and anxiety LUNDBECK & CO AS H (DK) 2009-07-01 CN disclosed