SCHEMBL11157643

SCHEMBL11157643

Cc1cccc(Oc2ccccc2)c1NC1=NCCN1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.68
ADRA2A P08913 7/20 0.55
ADRA2C P18825 6/20 0.55
ADRA1A P35348 5/20 0.55
ADRA2B P18089 5/20 0.55
ADRA1D P25100 3/20 0.55
ADRA1B P35368 3/20 0.55
CFB P00751 4/20 0.50
KCNH2 Q12809 1/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
SLC22A1 O15245 1/20 0.49
SLC22A3 O75751 1/20 0.49
HTR1A P08908 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HRH2 P25021 1/20 0.49
CYP2C19 P33261 1/20 0.49
OPRK1 P41145 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL11162732 0.85 ADRA2A (0.68) HTR1DADRA2AADRA2CADRA1AADRA2B
SCHEMBL4760243 0.82 HTR1D (1.00) HTR1DADRA2AADRA2CADRA1AADRA2B
Hydrochloric Acid SCHEMBL29384552 0.80 HTR1D (0.97) HTR1DADRA2AADRA2CADRA1AADRA2B
SCHEMBL11161124 0.80 ADRA2A (0.57) HTR1DADRA2AADRA2CADRA1AADRA2B
SCHEMBL11161033 0.80 ADRA2A (0.66) HTR1DADRA2AADRA2CADRA1AADRA2B
SCHEMBL11158490 0.77 CFB (0.57) HTR1DADRA2AADRA2CADRA1AADRA2B
SCHEMBL11158433 0.76 ADRA2A (0.53) HTR1DADRA2AADRA2CADRA1AADRA2B
SCHEMBL11159766 0.76 ADRA2A (0.53) HTR1DADRA2AADRA2CADRA1AADRA2B
SCHEMBL11168815 0.76 ADRA2A (0.66) ADRA2AADRA2CADRA1AADRA2BADRA1D
SCHEMBL11163652 0.75 ADRA2A (0.59) HTR1DADRA2AADRA2CADRA1AADRA2B

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-0017484-B1 2-IMIDAZOLINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION OF THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-04-06 EP disclosed
EP-0017484-A1 2-Imidazoline derivatives, process for the preparation thereof and the pharmaceutical composition of the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-10-15 EP disclosed