SCHEMBL11545710

SCHEMBL11545710

O=C(NC(=S)NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.83
ADRA2B P18089 1/20 0.83
ADRA2C P18825 1/20 0.83
ADRA1D P25100 1/20 0.83
ADRA1A P35348 1/20 0.83
ADRA1B P35368 1/20 0.83
BCHE P06276 1/20 0.57
ACHE P22303 1/20 0.57
MAPT P10636 2/20 0.55
MAPK1 P28482 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTR2A P28223 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL11303310 0.91 ADRA2A (0.85) ADRA2AADRA2BADRA2CADRA1DADRA1A
Indoramin SCHEMBL29370437 0.91 ADRA1D (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
Indoramin SCHEMBL49517 0.91 ADRA1D (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL11545694 0.90 ADRA2A (0.83) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11311300 0.90 ADRA2A (0.67) ADRA2AADRA2BADRA2CADRA1DADRA1A
Indoramin SCHEMBL123678 0.90 ADRA1D (0.98) ADRA2AADRA2BADRA2CADRA1DADRA1A
Indoramin SCHEMBL29801648 0.90 ADRA1D (0.98) ADRA2AADRA2BADRA2CADRA1DADRA1A
Indoramin SCHEMBL1651262 0.89 ADRA1D (0.96) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11070428 0.85 ADRA2A (0.81) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11544611 0.85 ADRA2A (0.68) 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 disclosed
US-4141990-A BACTERICIDES, FUNGICIDES RIKER LABORATORIES, INC. (US) 1979-02-27 US disclosed