SCHEMBL3917099

SCHEMBL3917099

CC(C)C(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HRH3 Q9Y5N1 5/20 0.51
POLB P06746 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 1/20 0.50
ATM Q13315 1/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL3918352 0.90 HRH3 (0.50) ALDH1A1SMN1; SMN2HRH3POLBMEN1
SCHEMBL3917102 0.85 LMNA (0.57) ALDH1A1SMN1; SMN2HRH3POLBMEN1
SCHEMBL3916728 0.84 HRH3 (0.71) HRH3MEN1KMT2AATMGAA
SCHEMBL3915931 0.82 HRH3 (0.44) ALDH1A1SMN1; SMN2HRH3POLBMEN1
SCHEMBL3311684 0.82 HRH3 (0.64) HRH3MEN1KMT2AGAAHDAC6
SCHEMBL3198447 0.82 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL2776747 0.80 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HRH3POLBMEN1
SCHEMBL2906006 0.80 HDAC6 (0.68) HRH3MEN1KMT2AGAAHDAC6
SCHEMBL27282763 0.80 L3MBTL1 (0.74) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL188521 0.79 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HRH3POLBMEN1

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-2038253-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C Arrow Therapeutics Limited (GB) 2009-03-25 EP disclosed
WO-2007138242-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2007-12-06 WO disclosed