SCHEMBL11290205

SCHEMBL11290205

C=CCN(CCCCC)C1=NCCN1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.33
HTR1D P28221 1/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
RAD52 P43351 1/20 0.30

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
SCHEMBL17471896 0.77 NISCH (0.38) NISCHHTR1DADRA2AADRA2BADRA2C
SCHEMBL11410917 0.74 NISCH (0.38) NISCHHTR1DADRA2AADRA2BADRA2C
SCHEMBL1194234 0.71 TSHR (0.36)
SCHEMBL17472382 0.70 ADRA2A (0.33) NISCHHTR1DADRA2AADRA2BADRA2C
SCHEMBL7094563 0.68 ADRA2A (0.47) NISCHHTR1DADRA2AADRA2BADRA2C
SCHEMBL6843923 0.68 CNR2 (0.37)
SCHEMBL17472347 0.68 CXCR4 (0.34) NISCHHTR1DADRA2AADRA2BADRA2C
SCHEMBL1825440 0.67 CHKA (0.38)
SCHEMBL18993759 0.66 CXCR4 (0.33) NISCHHTR1DADRA2AADRA2BADRA2C
SCHEMBL6694379 0.65 BDKRB2 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0007438-B1 SUBSTITUTED 2-PHENYLAMINO-2-IMIDAZOLINES, THEIR ACID ADDITION SALTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR THEIR PREPARATION C.H. BOEHRINGER SOHN (DE) 1982-09-01 EP disclosed