SCHEMBL6947338

SCHEMBL6947338

CCNC(Cc1ccc(CCCn2c(=O)oc3ccccc3c2=O)cc1)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HTR1A P08908 6/20 0.41
ASAH1 Q13510 3/20 0.41
CAPN1 P07384 3/20 0.38
CNR1 P21554 4/20 0.37
CNR2 P34972 4/20 0.37
ELANE P08246 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6952640 0.91 HTR1A (0.44) HDAC1HTR1AASAH1CAPN1MEN1
SCHEMBL6952008 0.83 HTR1A (0.41) HDAC1HTR1AASAH1MAPTMEN1
SCHEMBL6953729 0.81 HTR1A (0.40) HDAC1HTR1AASAH1CAPN1MAPT
SCHEMBL6952009 0.80 HTR1A (0.42) HDAC1HTR1AASAH1MAPTMAPK1
SCHEMBL6949553 0.78 HTR1A (0.44) HDAC1HTR1AASAH1MAPTMAPK1
SCHEMBL6957394 0.76 PPARG (0.44) HTR1A
SCHEMBL6956944 0.74 HDAC1 (0.41) HDAC1HTR1AASAH1MAPK1
SCHEMBL6953855 0.71 HTR1A (0.43) HDAC1HTR1AASAH1MAPK1
SCHEMBL6951749 0.70 HTR1A (0.40) HDAC1HTR1AMAPTMEN1KMT2A
SCHEMBL4672507 0.69 SIGMAR1 (0.53) HDAC1CNR1CNR2ELANEPKM

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-0903343-B1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP CO LTD (JP) 2003-05-28 EP disclosed
EP-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed