SCHEMBL3916728

SCHEMBL3916728

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

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.71
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
ATM Q13315 1/20 0.59
GAA P10253 1/20 0.57
RORC P51449 1/20 0.54
CHRM1 P11229 1/20 0.54
HTR2A P28223 1/20 0.54
MCHR1 Q99705 1/20 0.54
IKBKE Q14164 1/20 0.53
TBK1 Q9UHD2 1/20 0.53
CYP2D6 P10635 1/20 0.51
LTA4H P09960 1/20 0.49
LSS P48449 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
GPR183 P32249 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
SCHEMBL1481137 0.87 HRH3 (0.76) HRH3MEN1KMT2AATMRORC
SCHEMBL3916831 0.84 HRH3 (0.76) HRH3MEN1KMT2AATMRORC
SCHEMBL2906006 0.84 HDAC6 (0.68) HRH3MEN1KMT2AGAA
SCHEMBL2776747 0.84 ALDH1A1 (0.59) HRH3MEN1KMT2AGAALSS
SCHEMBL3917099 0.84 ALDH1A1 (0.51) HRH3MEN1KMT2AATMGAA
SCHEMBL3921972 0.83 GAA (0.52) HRH3MEN1KMT2AATMGAA
SCHEMBL3917811 0.82 POLB (0.49) HRH3MEN1KMT2AATMGAA
SCHEMBL3918352 0.82 HRH3 (0.50) HRH3MEN1KMT2AATMGAA
SCHEMBL3917814 0.82 HRH3 (0.49) HRH3MEN1KMT2AATMGAA
SCHEMBL321890 0.82 HRH3 (0.78) HRH3MEN1KMT2AATMRORC

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