SCHEMBL14879136

SCHEMBL14879136

Cc1cccc(C(C(=O)O[C@@H](C)c2ccccc2)N2CCN(C)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
SLC6A9 P48067 1/20 0.42
OPRM1 P35372 3/20 0.41
CHRM1 P11229 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD1 P21728 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR2A P28223 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
SCHEMBL18526696 0.89 LMNA (0.52) MC4RMEN1KMT2AALDH1A1LMNA
SCHEMBL753058 0.89 LMNA (0.52) MC4RMEN1KMT2AALDH1A1LMNA
SCHEMBL13044393 0.82 LMNA (0.50) MC4RMAPTRAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL3637565 0.81 LMNA (0.53) MC4RMAPTRAB9AMEN1KMT2A
SCHEMBL14277129 0.77 LMNA (0.69) MEN1KMT2AALDH1A1LMNAOPRM1
SCHEMBL12103050 0.76 NPY2R (0.53) MEN1KMT2AALDH1A1LMNAOPRM1
SCHEMBL12139917 0.75 MEN1 (0.51) MEN1KMT2AALDH1A1LMNAOPRM1
SCHEMBL6663882 0.74 KMT2A (0.73) MC4RMEN1KMT2AALDH1A1LMNA
SCHEMBL3729279 0.74 OPRM1 (0.54) MEN1KMT2AALDH1A1LMNAOPRM1
SCHEMBL3729276 0.74 OPRM1 (0.54) MEN1KMT2AALDH1A1LMNAOPRM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242750-B1 CONFORMATIONALLY RESTRICTED BIPHENYL DERIVATIVES FOR USE AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-04-24 EP disclosed