SCHEMBL20710409

SCHEMBL20710409

CNCC1CCN(Cc2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.62
DRD2 P14416 1/20 0.62
MAOB P27338 1/20 0.62
HTR2A P28223 1/20 0.62
SLC6A4 P31645 1/20 0.62
SCN5A Q14524 1/20 0.62
HDAC3 O15379 3/20 0.59
HDAC4 P56524 3/20 0.59
HDAC1 Q13547 3/20 0.59
HDAC7 Q8WUI4 3/20 0.59
HDAC2 Q92769 3/20 0.59
HDAC10 Q969S8 3/20 0.59
HDAC11 Q96DB2 3/20 0.59
HDAC8 Q9BY41 3/20 0.59
HDAC6 Q9UBN7 3/20 0.59
HDAC9 Q9UKV0 3/20 0.59
HDAC5 Q9UQL6 3/20 0.59
CXCR4 P61073 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL19725557 0.85 KDM1A (0.67) KDM1ADRD2MAOBHTR2ASLC6A4
SCHEMBL14032717 0.84 KDM1A (0.56) KDM1ADRD2MAOBHTR2ASLC6A4
SCHEMBL24437711 0.83 KDM1A (0.72) KDM1ADRD2MAOBHTR2ASLC6A4
SCHEMBL19092429 0.83 KDM1A (0.72) KDM1ADRD2MAOBHTR2ASLC6A4
SCHEMBL12965517 0.82 GAA (0.60) KDM1ADRD2MAOBHTR2ASLC6A4
SCHEMBL12813692 0.82 KDM1A (0.57) KDM1ADRD2MAOBHTR2ASLC6A4
SCHEMBL20843175 0.82 KDM1A (0.58) KDM1ADRD2HDAC3HDAC4HDAC1
SCHEMBL6215695 0.82 CXCR4 (0.74) KDM1AMAOBHDAC3HDAC4HDAC1
SCHEMBL20832910 0.82 KDM1A (0.54) KDM1ADRD2MAOBHTR2ASLC6A4
SCHEMBL4846613 0.81 L3MBTL1 (0.76) CXCR4L3MBTL1KCNH2CACNA1IMEN1

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
WO-2019025588-A1 METHODS OF TREATING BEHAVIOR ALTERATIONS ORYZON GENOMICS, S.A. (ES) 2019-02-07 WO disclosed