SCHEMBL4586746

SCHEMBL4586746

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX2 P34913 8/20 0.44
CARM1 Q86X55 2/20 0.44
PRMT6 Q96LA8 2/20 0.44
CHRM4 P08173 1/20 0.44
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
BACE1 P56817 2/20 0.43
CCR5 P51681 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
EPHX1 P07099 1/20 0.42
ROCK2 O75116 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
SCHEMBL4586464 0.85 PABPC1 (0.52) ALDH1A1SMN1; SMN2CARM1PRMT6KMT2A
SCHEMBL4586375 0.85 PABPC1 (0.52) ALDH1A1SMN1; SMN2CARM1PRMT6KMT2A
SCHEMBL4586330 0.84 CARM1 (0.44) EPHX2CARM1PRMT6BCHEACHE
SCHEMBL4585512 0.84 MAPT (0.57) ALDH1A1LMNACARM1PRMT6
SCHEMBL4586269 0.80 CARM1 (0.47) LMNASMN1; SMN2CARM1PRMT6CCR5
SCHEMBL4242742 0.79 UBE2M (0.46) EPHX2BCHEACHEBACE1EPHX1
SCHEMBL2172826 0.75 EPHX2 (0.51) EPHX2EPHX1
SCHEMBL5535037 0.75 BCHE (0.72) ALDH1A1EPHX2CHRM4BCHEACHE
SCHEMBL4242736 0.74 EPHX2 (0.49) EPHX2MEN1KMT2AATMEPHX1
SCHEMBL4249067 0.74 EPHX2 (0.46) EPHX2EPHX1

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