SCHEMBL11545481

SCHEMBL11545481

O=C(NC(=O)c1cccs1)NC1CCN(CCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.66
ADRA2B P18089 1/20 0.66
ADRA2C P18825 1/20 0.66
ADRA1D P25100 1/20 0.66
ADRA1A P35348 1/20 0.66
ADRA1B P35368 1/20 0.66
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
SOS1 Q07889 5/20 0.52
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
KRAS P01116 1/20 0.52
SIGMAR1 Q99720 1/20 0.49
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
HTR2A P28223 1/20 0.48
SNCA P37840 1/20 0.48
ECE1 P42892 1/20 0.48
HTR7 P34969 2/20 0.46

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
SCHEMBL11303296 0.91 SOS1 (0.63) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11072376 0.88 ADRA2A (0.64) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11303310 0.86 ADRA2A (0.85) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL11545694 0.85 ADRA2A (0.83) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11547157 0.81 ADRA2A (0.74) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11548936 0.81 ADRA2A (0.74) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11545669 0.80 ADRA2A (0.66) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11474850 0.80 ADRA2A (0.74) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11884383 0.80 HTR2A (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1A
Indoramin SCHEMBL49517 0.80 ADRA1D (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A

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
US-4177279-A 1-[(3-Indolyl)-alkyl]-piperidyl ureas and hypotensive compositions JOHN WYETH & BROTHER LTD. (GB) 1979-12-04 US claimed
US-4177279-A 1-[(3-Indolyl)-alkyl]-piperidyl ureas and hypotensive compositions JOHN WYETH & BROTHER LTD. (GB) 1979-12-04 US disclosed