SCHEMBL5812294

SCHEMBL5812294

COC(=O)c1ccc(C=C(CNc2cnc3ccc(CN4CCCC4)cc3c2)COc2cccc3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.47
FAAH O00519 6/20 0.45
TRPV1 Q8NER1 2/20 0.37
POLB P06746 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCHR1 Q99705 2/20 0.36
HTR2C P28335 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MLLT1 Q03111 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL5812289 1.00 P2RX3 (0.47) P2RX3FAAHTRPV1POLBNPC1
SCHEMBL5811096 0.93 P2RX3 (0.50) P2RX3FAAHTRPV1POLBNPC1
SCHEMBL5812325 0.93 P2RX3 (0.50) P2RX3FAAHTRPV1POLBNPC1
SCHEMBL5808165 0.91 P2RX3 (0.58) P2RX3TRPV1POLBNPC1LMNA
SCHEMBL5808159 0.91 P2RX3 (0.58) P2RX3TRPV1POLBNPC1LMNA
SCHEMBL5796309 0.87 P2RX3 (0.56) P2RX3FAAHHDAC6
SCHEMBL5796315 0.87 P2RX3 (0.56) P2RX3FAAHHDAC6
SCHEMBL5814020 0.86 ALPL (0.45) P2RX3FAAHNPC1LMNAMAPT
SCHEMBL5809911 0.85 HPGD (0.44) P2RX3POLBNPC1LMNAMAPT
SCHEMBL5809908 0.85 HPGD (0.44) P2RX3POLBNPC1LMNAMAPT

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-2006025683-A1 ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO disclosed