SCHEMBL2169151

SCHEMBL2169151

CCN(CC)C(=O)c1ccc(N(CC2C3CN(C(=O)c4ccc(C(C)(C)C)cc4)CC32)C(=O)c2cccs2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
OPRM1 P35372 3/20 0.41
OPRD1 P41143 3/20 0.41
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
OPRK1 P41145 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NR1H4 Q96RI1 1/20 0.35
NPY2R P49146 1/20 0.35

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
SCHEMBL2168860 0.86 LMNA (0.40) MAPTLMNATP53POLBOPRM1
SCHEMBL18887202 0.86 LMNA (0.41) MAPTLMNATP53POLBOPRM1
SCHEMBL2170222 0.85 MAPT (0.39) MAPTLMNATP53POLBHPGD
SCHEMBL2184240 0.84 HRH3 (0.44) MAPTLMNATP53POLBHPGD
SCHEMBL2168038 0.84 HPGD (0.43) MAPTLMNATP53POLBHPGD
SCHEMBL2169831 0.81 HPGD (0.40) MAPTLMNATP53POLBHPGD
SCHEMBL2171193 0.81 HPGD (0.39) MAPTLMNATP53POLBHPGD
SCHEMBL2168080 0.81 POLB (0.36) MAPTLMNATP53POLBHPGD
SCHEMBL2171166 0.81 MEN1 (0.44) MAPTLMNATP53POLBHPGD
SCHEMBL2169211 0.80 ITK (0.38) MAPTLMNATP53POLBUSP2

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
JP-4732354-B2 2011-07-27 JP claimed