SCHEMBL3918352

SCHEMBL3918352

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

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
POLB P06746 2/20 0.49
HTT P42858 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL3917099 0.90 ALDH1A1 (0.51) HRH3ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3918357 0.86 LMNA (0.55) HRH3ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1393985 0.82 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL1394606 0.82 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL1393987 0.82 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL3916728 0.82 HRH3 (0.71) HRH3MEN1KMT2AGAAATM
SCHEMBL3915931 0.81 HRH3 (0.44) HRH3ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3311684 0.81 HRH3 (0.64) HRH3MEN1KMT2AGAAHDAC6
Hydrochloric Acid SCHEMBL1394710 0.81 KMT2A (0.71) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL1394707 0.81 KMT2A (0.71) ALDH1A1SMN1; SMN2MEN1KMT2AGAA

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