SCHEMBL8160604

SCHEMBL8160604

[2H]C([2H])(N)CNCCOCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
HTR1A P08908 8/20 0.44
ADRA1D P25100 8/20 0.44
ADRA1A P35348 8/20 0.44
ADRA1B P35368 8/20 0.44
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
IDO1 P14902 1/20 0.39
DRD4 P21917 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
SCHEMBL8152530 0.88 TSHR (0.45) TSHRSMN1; SMN2HTTHTR1AADRA1D
SCHEMBL8760726 0.87 TSHR (0.61) TSHRSMN1; SMN2HTTHTR1AADRA1D
SCHEMBL6239315 0.86 TSHR (0.50) TSHRSMN1; SMN2HTTHTR1AADRA1D
SCHEMBL7134228 0.85 TSHR (0.58) TSHRSMN1; SMN2HTTHTR1AADRA1D
SCHEMBL8154723 0.85 TSHR (0.45) TSHRSMN1; SMN2HTTHTR1AADRA1D
SCHEMBL25985295 0.83 TSHR (0.47) TSHRSMN1; SMN2HTTHTR1AADRA1D
SCHEMBL31474275 0.82 TSHR (0.50) TSHRSMN1; SMN2HTTHTR1AADRA1D
SCHEMBL21207996 0.80 TSHR (0.44) TSHRSMN1; SMN2HTTHTR1AADRA1D
SCHEMBL11935005 0.80 SIGMAR1 (0.49) TSHR
SCHEMBL3925230 0.79 SMN1; SMN2 (0.52) TSHRSMN1; SMN2HTTHTR1AADRA1D

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-0726898-B1 PHENYLINDOLE COMPOUNDS LUNDBECK & CO AS H (DK) 2000-12-20 EP disclosed
US-5703087-A PSYCHOLOGICAL DISORDERS H. LUNDBECK A/S (DK) 1997-12-30 US disclosed