SCHEMBL21163646

SCHEMBL21163646

CC(=O)Nc1ccc(C)c(N2CCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
GAA P10253 3/20 0.59
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 3/20 0.59
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C19 P33261 2/20 0.58
GFER P55789 1/20 0.58
SMN1; SMN2 Q16637 6/20 0.56
LMNA P02545 2/20 0.56
TSHR P16473 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
HTR2A P28223 1/20 0.50

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
SCHEMBL29639826 0.86 HTR1D (0.49) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL6688375 0.82 KDM4E (0.69) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL5098532 0.82 CYP1A2 (0.59) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL22510037 0.80 KDM4E (0.52) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL7808036 0.80 MAPT (0.64) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL5104848 0.80 GFER (0.56) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL7805753 0.79 MAPT (0.62) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL5098076 0.79 MAPT (0.62) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL15714761 0.78 KDM4E (0.68) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL22510035 0.76 MAPT (0.53) MAPTMEN1KMT2AGAAALDH1A1

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-3508477-A1 C5AR ANTAGONISTS ChemoCentryx, Inc. (US) 2019-07-10 EP disclosed