SCHEMBL4586345

SCHEMBL4586345

CC(N)CCN1CCC(C(O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.49
HTR2C P28335 3/20 0.49
HTR7 P34969 2/20 0.49
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
CCR5 P51681 2/20 0.45
CYP2D6 P10635 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
HTR6 P50406 1/20 0.43
HRH1 P35367 1/20 0.41

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
SCHEMBL4240053 0.78 CCR5 (0.43) CCR5
SCHEMBL4586330 0.77 CARM1 (0.44) CARM1PRMT6CCR5CYP2D6
SCHEMBL1348888 0.75 PDE2A (0.57) HTR2AHTR2CHTR7
SCHEMBL14708206 0.74 JAK2 (0.46) KDM4ECYP3A4TSHR
SCHEMBL7985911 0.72 KDM4E (0.49) KDM4E
SCHEMBL5756775 0.71 HTR2A (0.66) HTR2AHTR2CHTR7CARM1PRMT6
SCHEMBL26081058 0.71 DHODH (0.50)
SCHEMBL5760637 0.71 HTR2A (0.64) HTR2AHTR2CHTR7CARM1PRMT6
SCHEMBL17023785 0.70 HRH1 (0.72) HTR2AHTR2CCARM1PRMT6CCR5
SCHEMBL18590358 0.70 HRH1 (0.72) HTR2AHTR2CCARM1PRMT6CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 WO disclosed