SCHEMBL4586330

SCHEMBL4586330

C[C@@H](N)CCN1CCC(Nc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.44
PRMT6 Q96LA8 2/20 0.44
MLNR O43193 1/20 0.44
CYP2D6 P10635 2/20 0.43
GRIN2B Q13224 2/20 0.43
KCNH2 Q12809 1/20 0.43
EPHX2 P34913 5/20 0.42
CCR5 P51681 2/20 0.41
PHGDH O43175 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL4586746 0.84 ALDH1A1 (0.46) CARM1PRMT6EPHX2CCR5BCHE
SCHEMBL4586269 0.83 CARM1 (0.47) CARM1PRMT6CCR5CA12CA1
SCHEMBL4586375 0.81 PABPC1 (0.52) CARM1PRMT6KCNH2
SCHEMBL4586464 0.81 PABPC1 (0.52) CARM1PRMT6KCNH2
SCHEMBL4585512 0.80 MAPT (0.57) CARM1PRMT6CYP2D6CA12CA1
SCHEMBL6125248 0.78 POLB (0.63) MLNREPHX2CCR5PHGDH
SCHEMBL4239228 0.78 UBE2M (0.45) MLNRCYP2D6GRIN2BKCNH2EPHX2
SCHEMBL4586345 0.77 HTR2A (0.49) CARM1PRMT6CYP2D6CCR5
SCHEMBL27584305 0.76 EPHX2 (0.47) MLNRCYP2D6GRIN2BKCNH2EPHX2
SCHEMBL2727460 0.72 MEN1 (0.47) EPHX2CCR5PHGDHCA1CA2

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