SCHEMBL11187432

SCHEMBL11187432

Cc1cccc(NC2=NCCN2)c1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.72
ADRA1A P35348 5/20 0.72
ADRA2B P18089 4/20 0.72
ADRA2C P18825 4/20 0.72
ADRA1D P25100 4/20 0.72
ADRA1B P35368 4/20 0.72
HTR1D P28221 1/20 0.65
HTR7 P34969 2/20 0.57
LMNA P02545 2/20 0.56
MEN1 O00255 1/20 0.56
SLC22A1 O15245 1/20 0.56
SLC22A3 O75751 1/20 0.56
HTR1A P08908 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
HRH2 P25021 1/20 0.56
CYP2C19 P33261 1/20 0.56
OPRK1 P41145 1/20 0.56
KMT2A Q03164 1/20 0.56
HIF1A Q16665 1/20 0.56

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
SCHEMBL1741885 0.84 ADRA2A (0.77) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL11098850 0.84 ADRA2A (0.69) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL8020019 0.84 ADRA2A (1.00) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL29412295 0.82 ADRA2A (0.65) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL4760243 0.79 HTR1D (1.00) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL11176814 0.79 ADRA2A (0.79) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL11169014 0.79 ADRA1A (0.77) ADRA2AADRA1AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL29384552 0.78 HTR1D (0.97) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL11859273 0.78 ADRA2A (0.68) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL11757404 0.76 ADRA2A (0.63) ADRA2AADRA1AADRA2BADRA2CADRA1D

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4389403-A HYPOTENSIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1983-06-21 US disclosed
EP-0037471-A1 1-Aroyl-2-phenylamino-2-imidazolines, their preparation and their pharmaceutical compositions BASF Aktiengesellschaft (DE) 1981-10-14 EP disclosed
US-4094964-A IMMUNOASSAY, HAPTEN, ANTIGEN HOFFMANN-LA ROCHE INC. (US) 1978-06-13 US disclosed
US-4025607-A ANALGESICS, HYPOTENSIVES BOEHRINGER INGELHEIM GMBH (DT) 1977-05-24 US disclosed
US-3950523-A ANTIDEPRESSANTS BOEHRINGER INGELHEIM GMBH (DT) 1976-04-13 US disclosed