SCHEMBL7339248

SCHEMBL7339248

CCOc1ccc(N(Cc2ccc(O)cc2)C(=O)CN2CCN(C)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 5/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 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
SCHEMBL7347769 0.91 ALDH1A1 (0.52) KDM4EPOLBALDH1A1TSHRMEN1
SCHEMBL7343295 0.90 RNF4 (0.46) KDM4EALDH1A1TSHRHDAC1HDAC8
SCHEMBL7346256 0.89 ALDH1A1 (0.44) KDM4EPOLBALDH1A1TSHRHDAC1
SCHEMBL7340750 0.86 MEN1 (0.45) KDM4EALDH1A1TSHRHDAC1HDAC8
SCHEMBL7346787 0.85 ALDH1A1 (0.56) KDM4EALDH1A1TSHRHDAC1HDAC8
SCHEMBL7350850 0.85 CNR2 (0.48) KDM4EPOLBALDH1A1TSHRHDAC1
SCHEMBL7342400 0.85 ALDH1A1 (0.44) KDM4EALDH1A1TSHRRAB9AHDAC1
SCHEMBL7347840 0.85 MAPT (0.50) KDM4EALDH1A1TSHRMEN1LMNA
SCHEMBL7340688 0.85 ALDH1A1 (0.55) KDM4EPOLBALDH1A1TSHRRAB9A
SCHEMBL7340527 0.85 CA12 (0.49) KDM4EALDH1A1TSHRRAB9AHDAC1

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-0585500-A1 Diaryl piperazineacetamides as antimuscarinic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1994-03-09 EP disclosed