SCHEMBL6958671

SCHEMBL6958671

NCC(N)CC1=Cc2cc(C(F)(F)F)ccc2CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.34
HTR2C P28335 4/20 0.34
HTR2B P41595 4/20 0.34
PNMT P11086 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
PARP1 P09874 1/20 0.32
PARP10 Q53GL7 1/20 0.32
ADRA2A P08913 1/20 0.32
KIF11 P52732 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31

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
SCHEMBL6954716 0.83 ADRA2A (0.46) ADRA2A
SCHEMBL6952820 0.80 ADRA2A (0.30) ADRA2A
SCHEMBL6958705 0.77 CYP11B2 (0.41) HTR2AADRA2A
SCHEMBL6954590 0.76 HTR2A (0.42) HTR2AHTR2CHTR2BADRA2A
SCHEMBL6960771 0.76 HTR2A (0.42) HTR2AHTR2CHTR2BADRA2A
SCHEMBL27500226 0.74 HTR2A (0.36) HTR2AHTR2CHTR2BDPP7PARP1
SCHEMBL6955673 0.71 MCHR1 (0.34)
SCHEMBL6951250 0.71 PSEN1 (0.40) PARP1PARP10
SCHEMBL11459008 0.68 CFTR (0.39)
SCHEMBL8092602 0.67 TRPM2 (0.40)

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-1010693-B1 Imidazoline derivatives, preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-09-24 EP disclosed
US-6127396-A Imidazoline compounds ADIR ET COMPAGNIE (FR) 2000-10-03 US disclosed