SCHEMBL17242001

SCHEMBL17242001

COc1ccc2[nH]cc(CCCCN3CCN(c4ccc(Oc5nc(OC)cc(OC)n5)cc4)CC3)c2c1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.79
ADRA2B P18089 1/20 0.79
ADRA2C P18825 1/20 0.79
ADRA1D P25100 1/20 0.79
ADRA1A P35348 1/20 0.79
ADRA1B P35368 1/20 0.79
HTR1A P08908 3/20 0.77

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
SCHEMBL17242322 0.97 HTR1A (0.76) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL17242303 0.93 HTR1A (0.76) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL17242096 0.92 HTR1A (0.75) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL17242343 0.91 HTR1A (0.73) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL17242327 0.90 HTR1A (0.75) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL17249509 0.90 HTR1A (0.76) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL17242050 0.90 HTR1A (0.74) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL17242237 0.89 HTR1A (0.77) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL3377844 0.89 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL17241849 0.88 HTR1A (0.73) 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
WO-2015169180-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND METHODS AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-11-12 WO disclosed
WO-2015169180-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND METHODS AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-11-12 WO disclosed